2-formamido-N-[3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]cyclobutane-1-carboxamide

C22H35N3O5S — CID 89365156

IUPAC2-formamido-N-[3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]cyclobutane-1-carboxamide
SMILESCC(C)CCN(CC(O)C(Cc1ccccc1)NC(=O)C1CCC1NC=O)S(C)(=O)=O
InChIInChI=1S/C22H35N3O5S/c1-16(2)11-12-25(31(3,29)30)14-21(27)20(13-17-7-5-4-6-8-17)24-22(28)18-9-10-19(18)23-15-26/h4-8,15-16,18-21,27H,9-14H2,1-3H3,(H,23,26)(H,24,28)
InChIKeyFGSHYYPLKSFKFS-UHFFFAOYSA-N
MW453.61 g/mol
LogP0.91
Rot. Bonds13

About 2-formamido-N-[3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]cyclobutane-1-carboxamide

2-formamido-N-[3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]cyclobutane-1-carboxamide (PubChem CID 89365156) has the molecular formula C22H35N3O5S and a molecular weight of 453.61 g/mol. Its IUPAC name is 2-formamido-N-[3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name2-formamido-N-[3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]cyclobutane-1-carboxamide
PubChem CID89365156
Molecular FormulaC22H35N3O5S
Molecular Weight453.61 g/mol
Exact Mass453.23
IUPAC Name2-formamido-N-[3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]cyclobutane-1-carboxamide
SMILESCC(C)CCN(CC(O)C(Cc1ccccc1)NC(=O)C1CCC1NC=O)S(C)(=O)=O
InChIInChI=1S/C22H35N3O5S/c1-16(2)11-12-25(31(3,29)30)14-21(27)20(13-17-7-5-4-6-8-17)24-22(28)18-9-10-19(18)23-15-26/h4-8,15-16,18-21,27H,9-14H2,1-3H3,(H,23,26)(H,24,28)
InChIKeyFGSHYYPLKSFKFS-UHFFFAOYSA-N
XLogP0.91
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-formamido-N-[3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]cyclobutane-1-carboxamide 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

(4-methoxyphenyl)methyl N-[2-[[3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]carbamoyl]cyclobutyl]carbamate
CID 58852396
N-[3-hydroxy-4-[2-methylpropyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]-2-methylpropanamide
CID 70870510
2-[[2-(dimethylamino)acetyl]amino]-N-[3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]-3,3-dimethylbutanamide
CID 23385607
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
4-[[(2S)-4-[benzenesulfonyl(3-methylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl]amino]-2,2,3-trimethyl-4-oxobutanoic acid
CID 57079868
N-[(2S)-4-[(4-aminophenyl)sulfonyl-(3-methylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-methyl-3-methylsulfonylpropanamide
CID 57205000
(2S)-N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]-2-methyl-3-methylsulfinylpropanamide
CID 59886305
(2S)-N-[1-[[(2S)-3-hydroxy-4-[2-methylpropyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]amino]-3-methyl-3-methylsulfonyl-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
CID 54167257
[(2S,3R)-4-[tert-butylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 22969280
benzyl N-[(2S,3R)-3-hydroxy-4-[3-methylbutyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate
CID 508286
N-[4-[tert-butylcarbamoyl(3-methylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-1,1-dioxothiolane-3-carboxamide
CID 20673470

Frequently Asked Questions

What is the IUPAC name of 2-formamido-N-[3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]cyclobutane-1-carboxamide?
The IUPAC name of 2-formamido-N-[3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]cyclobutane-1-carboxamide (CID 89365156) is 2-formamido-N-[3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for 2-formamido-N-[3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]cyclobutane-1-carboxamide?
The canonical SMILES for 2-formamido-N-[3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]cyclobutane-1-carboxamide is CC(C)CCN(CC(O)C(Cc1ccccc1)NC(=O)C1CCC1NC=O)S(C)(=O)=O.
What is the InChIKey of 2-formamido-N-[3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]cyclobutane-1-carboxamide?
The InChIKey is FGSHYYPLKSFKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O5S/c1-16(2)11-12-25(31(3,29)30)14-21(27)20(13-17-7-5-4-6-8-17)24-22(28)18-9-10-19(18)23-15-26/h4-8,15-16,18-21,27H,9-14H2,1-3H3,(H,23,26)(H,24,28).
What are the key properties of 2-formamido-N-[3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]cyclobutane-1-carboxamide?
2-formamido-N-[3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]cyclobutane-1-carboxamide has a molecular weight of 453.61 g/mol, XLogP of 0.91, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-N-[3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 89365156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).