(4-methoxyphenyl)methyl N-[2-[[3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]carbamoyl]cyclobutyl]carbamate

C30H43N3O7S — CID 58852396

IUPAC(4-methoxyphenyl)methyl N-[2-[[3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]carbamoyl]cyclobutyl]carbamate
SMILESCOc1ccc(COC(=O)NC2CCC2C(=O)NC(Cc2ccccc2)C(O)CN(CCC(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C30H43N3O7S/c1-21(2)16-17-33(41(4,37)38)19-28(34)27(18-22-8-6-5-7-9-22)31-29(35)25-14-15-26(25)32-30(36)40-20-23-10-12-24(39-3)13-11-23/h5-13,21,25-28,34H,14-20H2,1-4H3,(H,31,35)(H,32,36)
InChIKeyLSZCSPLEFRVTFR-UHFFFAOYSA-N
MW589.76 g/mol
LogP3.10
Rot. Bonds15

About (4-methoxyphenyl)methyl N-[2-[[3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]carbamoyl]cyclobutyl]carbamate

(4-methoxyphenyl)methyl N-[2-[[3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]carbamoyl]cyclobutyl]carbamate (PubChem CID 58852396) has the molecular formula C30H43N3O7S and a molecular weight of 589.76 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl N-[2-[[3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]carbamoyl]cyclobutyl]carbamate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl N-[2-[[3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]carbamoyl]cyclobutyl]carbamate
PubChem CID58852396
Molecular FormulaC30H43N3O7S
Molecular Weight589.76 g/mol
Exact Mass589.28
IUPAC Name(4-methoxyphenyl)methyl N-[2-[[3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]carbamoyl]cyclobutyl]carbamate
SMILESCOc1ccc(COC(=O)NC2CCC2C(=O)NC(Cc2ccccc2)C(O)CN(CCC(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C30H43N3O7S/c1-21(2)16-17-33(41(4,37)38)19-28(34)27(18-22-8-6-5-7-9-22)31-29(35)25-14-15-26(25)32-30(36)40-20-23-10-12-24(39-3)13-11-23/h5-13,21,25-28,34H,14-20H2,1-4H3,(H,31,35)(H,32,36)
InChIKeyLSZCSPLEFRVTFR-UHFFFAOYSA-N
XLogP3.10
TPSA134.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500589.76
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (4-methoxyphenyl)methyl N-[2-[[3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]carbamoyl]cyclobutyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-formamido-N-[3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]cyclobutane-1-carboxamide
CID 89365156
benzyl N-[3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate
CID 23385577
(1-methanidylpyridin-1-ium-4-yl)methyl N-[(2S)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate
CID 54029840
benzyl N-[(2S,3R)-3-hydroxy-4-[3-methylbutyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate
CID 508286
cis-methyl (1S,2R)-2-[[(1R,2S)-2-(phenylmethoxycarbonylamino)cyclobutanecarbonyl]amino]cyclobutane-1-carboxylate
CID 101218865
(1-oxidopyridin-1-ium-3-yl)methyl N-[(2S)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate
CID 54539191
ethyl 2-[[[3-[(2-carbamoylcyclopropanecarbonyl)amino]-2-hydroxy-4-phenylbutyl]-(3-methylbutyl)sulfamoyl]amino]-2-methylpropanoate
CID 23560258
ethyl 2-[[[(2R,3S)-3-[(2-carbamoylcyclopropanecarbonyl)amino]-2-hydroxy-4-phenylbutyl]-(3-methylbutyl)sulfamoyl]amino]-2-methylpropanoate
CID 59038250
[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]dioxin-6-yl] N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate
CID 25064772
benzyl 4-[[3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]amino]-2,2,3-trimethyl-4-oxobutanoate
CID 22889432
pyridin-2-ylmethyl N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate
CID 508317
benzyl N-[2-[cyano(3-methylbutyl)carbamoyl]cyclohexyl]carbamate
CID 87876845

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl N-[2-[[3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]carbamoyl]cyclobutyl]carbamate?
The IUPAC name of (4-methoxyphenyl)methyl N-[2-[[3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]carbamoyl]cyclobutyl]carbamate (CID 58852396) is (4-methoxyphenyl)methyl N-[2-[[3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]carbamoyl]cyclobutyl]carbamate.
What is the SMILES notation for (4-methoxyphenyl)methyl N-[2-[[3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]carbamoyl]cyclobutyl]carbamate?
The canonical SMILES for (4-methoxyphenyl)methyl N-[2-[[3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]carbamoyl]cyclobutyl]carbamate is COc1ccc(COC(=O)NC2CCC2C(=O)NC(Cc2ccccc2)C(O)CN(CCC(C)C)S(C)(=O)=O)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl N-[2-[[3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]carbamoyl]cyclobutyl]carbamate?
The InChIKey is LSZCSPLEFRVTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43N3O7S/c1-21(2)16-17-33(41(4,37)38)19-28(34)27(18-22-8-6-5-7-9-22)31-29(35)25-14-15-26(25)32-30(36)40-20-23-10-12-24(39-3)13-11-23/h5-13,21,25-28,34H,14-20H2,1-4H3,(H,31,35)(H,32,36).
What are the key properties of (4-methoxyphenyl)methyl N-[2-[[3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]carbamoyl]cyclobutyl]carbamate?
(4-methoxyphenyl)methyl N-[2-[[3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]carbamoyl]cyclobutyl]carbamate has a molecular weight of 589.76 g/mol, XLogP of 3.10, 15 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl N-[2-[[3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]carbamoyl]cyclobutyl]carbamate is sourced from PubChem (CID 58852396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).