[4-[[1-hydroxy-6-(3-naphthalen-1-ylpropanoylamino)hexan-2-yl]-(2-methylpropyl)sulfamoyl]phenyl] carbamate

C30H39N3O6S — CID 18009094

IUPAC[4-[[1-hydroxy-6-(3-naphthalen-1-ylpropanoylamino)hexan-2-yl]-(2-methylpropyl)sulfamoyl]phenyl] carbamate
SMILESCC(C)CN(C(CO)CCCCNC(=O)CCc1cccc2ccccc12)S(=O)(=O)c1ccc(OC(N)=O)cc1
InChIInChI=1S/C30H39N3O6S/c1-22(2)20-33(40(37,38)27-16-14-26(15-17-27)39-30(31)36)25(21-34)11-5-6-19-32-29(35)18-13-24-10-7-9-23-8-3-4-12-28(23)24/h3-4,7-10,12,14-17,22,25,34H,5-6,11,13,18-21H2,1-2H3,(H2,31,36)(H,32,35)
InChIKeyQRZFTSPWLGMIMQ-UHFFFAOYSA-N
MW569.72 g/mol
LogP4.22
Rot. Bonds15

About [4-[[1-hydroxy-6-(3-naphthalen-1-ylpropanoylamino)hexan-2-yl]-(2-methylpropyl)sulfamoyl]phenyl] carbamate

[4-[[1-hydroxy-6-(3-naphthalen-1-ylpropanoylamino)hexan-2-yl]-(2-methylpropyl)sulfamoyl]phenyl] carbamate (PubChem CID 18009094) has the molecular formula C30H39N3O6S and a molecular weight of 569.72 g/mol. Its IUPAC name is [4-[[1-hydroxy-6-(3-naphthalen-1-ylpropanoylamino)hexan-2-yl]-(2-methylpropyl)sulfamoyl]phenyl] carbamate.

Molecular Properties

Compound Name[4-[[1-hydroxy-6-(3-naphthalen-1-ylpropanoylamino)hexan-2-yl]-(2-methylpropyl)sulfamoyl]phenyl] carbamate
PubChem CID18009094
Molecular FormulaC30H39N3O6S
Molecular Weight569.72 g/mol
Exact Mass569.26
IUPAC Name[4-[[1-hydroxy-6-(3-naphthalen-1-ylpropanoylamino)hexan-2-yl]-(2-methylpropyl)sulfamoyl]phenyl] carbamate
SMILESCC(C)CN(C(CO)CCCCNC(=O)CCc1cccc2ccccc12)S(=O)(=O)c1ccc(OC(N)=O)cc1
InChIInChI=1S/C30H39N3O6S/c1-22(2)20-33(40(37,38)27-16-14-26(15-17-27)39-30(31)36)25(21-34)11-5-6-19-32-29(35)18-13-24-10-7-9-23-8-3-4-12-28(23)24/h3-4,7-10,12,14-17,22,25,34H,5-6,11,13,18-21H2,1-2H3,(H2,31,36)(H,32,35)
InChIKeyQRZFTSPWLGMIMQ-UHFFFAOYSA-N
XLogP4.22
TPSA139.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.72
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4-[[1-hydroxy-6-(3-naphthalen-1-ylpropanoylamino)hexan-2-yl]-(2-methylpropyl)sulfamoyl]phenyl] 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

(2S)-N-[(4S)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-5-hydroxypentyl]-2-[[2-(4-methoxyphenyl)acetyl]amino]-3-naphthalen-1-ylpropanamide
CID 513927
N-[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]-3-(2,4-dimethoxyphenyl)propanamide;formaldehyde
CID 142084708
2,2,2-trifluoroethyl N-[1-[[4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-5-hydroxypentyl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]carbamate
CID 68649572
methyl N-[(2S)-1-[[5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]amino]-3-[2-(4-methoxyphenyl)phenyl]-1-oxopropan-2-yl]carbamate
CID 67531756
[1-[[5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]amino]-3-[2-(4-methoxyphenyl)phenyl]-1-oxopropan-2-yl]carbamic acid
CID 18009071
tert-butyl N-[(5S)-5-[benzenesulfonyl(2-methylpropyl)amino]-6-hydroxyhexyl]carbamate
CID 91351823
(2S)-2-amino-N-[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]-3,3-diphenylpropanamide
CID 513994
N-[(2S)-6-amino-1-hydroxyhexan-2-yl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 67531312
sodium (2S)-2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-[3-(2-methoxyphenyl)propanoylamino]hexanoate
CID 23667960
N-[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]-2-[N-[(2-fluorophenyl)methyl]anilino]acetamide
CID 513429
[1-[[4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-5-hydroxypentyl]amino]-3-[2-(4-methoxyphenyl)phenyl]-1-oxopropan-2-yl]carbamic acid
CID 18009099
N-[(5S)-6-hydroxy-5-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]hexyl]-2-phenylsulfanylacetamide
CID 142084710

Frequently Asked Questions

What is the IUPAC name of [4-[[1-hydroxy-6-(3-naphthalen-1-ylpropanoylamino)hexan-2-yl]-(2-methylpropyl)sulfamoyl]phenyl] carbamate?
The IUPAC name of [4-[[1-hydroxy-6-(3-naphthalen-1-ylpropanoylamino)hexan-2-yl]-(2-methylpropyl)sulfamoyl]phenyl] carbamate (CID 18009094) is [4-[[1-hydroxy-6-(3-naphthalen-1-ylpropanoylamino)hexan-2-yl]-(2-methylpropyl)sulfamoyl]phenyl] carbamate.
What is the SMILES notation for [4-[[1-hydroxy-6-(3-naphthalen-1-ylpropanoylamino)hexan-2-yl]-(2-methylpropyl)sulfamoyl]phenyl] carbamate?
The canonical SMILES for [4-[[1-hydroxy-6-(3-naphthalen-1-ylpropanoylamino)hexan-2-yl]-(2-methylpropyl)sulfamoyl]phenyl] carbamate is CC(C)CN(C(CO)CCCCNC(=O)CCc1cccc2ccccc12)S(=O)(=O)c1ccc(OC(N)=O)cc1.
What is the InChIKey of [4-[[1-hydroxy-6-(3-naphthalen-1-ylpropanoylamino)hexan-2-yl]-(2-methylpropyl)sulfamoyl]phenyl] carbamate?
The InChIKey is QRZFTSPWLGMIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N3O6S/c1-22(2)20-33(40(37,38)27-16-14-26(15-17-27)39-30(31)36)25(21-34)11-5-6-19-32-29(35)18-13-24-10-7-9-23-8-3-4-12-28(23)24/h3-4,7-10,12,14-17,22,25,34H,5-6,11,13,18-21H2,1-2H3,(H2,31,36)(H,32,35).
What are the key properties of [4-[[1-hydroxy-6-(3-naphthalen-1-ylpropanoylamino)hexan-2-yl]-(2-methylpropyl)sulfamoyl]phenyl] carbamate?
[4-[[1-hydroxy-6-(3-naphthalen-1-ylpropanoylamino)hexan-2-yl]-(2-methylpropyl)sulfamoyl]phenyl] carbamate has a molecular weight of 569.72 g/mol, XLogP of 4.22, 15 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-hydroxy-6-(3-naphthalen-1-ylpropanoylamino)hexan-2-yl]-(2-methylpropyl)sulfamoyl]phenyl] carbamate is sourced from PubChem (CID 18009094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).