N-[(2R)-6-methylheptan-2-yl]-3-(4-sulfamoylphenyl)propanamide

C17H28N2O3S — CID 32648505

IUPACN-[(2R)-6-methylheptan-2-yl]-3-(4-sulfamoylphenyl)propanamide
SMILESCC(C)CCC[C@@H](C)NC(=O)CCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H28N2O3S/c1-13(2)5-4-6-14(3)19-17(20)12-9-15-7-10-16(11-8-15)23(18,21)22/h7-8,10-11,13-14H,4-6,9,12H2,1-3H3,(H,19,20)(H2,18,21,22)/t14-/m1/s1
InChIKeyIIKUMCLHFJBJDK-CQSZACIVSA-N
MW340.49 g/mol
LogP2.60
Rot. Bonds9

About N-[(2R)-6-methylheptan-2-yl]-3-(4-sulfamoylphenyl)propanamide

N-[(2R)-6-methylheptan-2-yl]-3-(4-sulfamoylphenyl)propanamide (PubChem CID 32648505) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-[(2R)-6-methylheptan-2-yl]-3-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound NameN-[(2R)-6-methylheptan-2-yl]-3-(4-sulfamoylphenyl)propanamide
PubChem CID32648505
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC NameN-[(2R)-6-methylheptan-2-yl]-3-(4-sulfamoylphenyl)propanamide
SMILESCC(C)CCC[C@@H](C)NC(=O)CCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H28N2O3S/c1-13(2)5-4-6-14(3)19-17(20)12-9-15-7-10-16(11-8-15)23(18,21)22/h7-8,10-11,13-14H,4-6,9,12H2,1-3H3,(H,19,20)(H2,18,21,22)/t14-/m1/s1
InChIKeyIIKUMCLHFJBJDK-CQSZACIVSA-N
XLogP2.60
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methoxypropan-2-yl)-3-(4-sulfamoylphenyl)propanamide
CID 60651368
N-(3-methylbutyl)-3-(4-sulfamoylphenyl)propanamide
CID 60651835
N-(6-methylheptan-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 24677488
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747
N-[(2R)-6-methylheptan-2-yl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 32648596
N-ethyl-3-(4-sulfamoylphenyl)propanamide
CID 47109333
N-(6-methylheptan-2-yl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide
CID 78877647
1-ethyl-3-(6-methylheptan-2-yl)-2-[(4-sulfamoylphenyl)methyl]guanidine
CID 111173165
N-(1-naphthalen-1-ylethyl)-3-(4-sulfamoylphenyl)propanamide
CID 24636391
3-[4-(diethylsulfamoyl)phenyl]-N-octan-2-ylpropanamide
CID 55436116
N-butan-2-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 108993382
2-methyl-N-(6-methylheptan-2-yl)-5-sulfamoylbenzamide
CID 46515920

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-6-methylheptan-2-yl]-3-(4-sulfamoylphenyl)propanamide?
The IUPAC name of N-[(2R)-6-methylheptan-2-yl]-3-(4-sulfamoylphenyl)propanamide (CID 32648505) is N-[(2R)-6-methylheptan-2-yl]-3-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for N-[(2R)-6-methylheptan-2-yl]-3-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for N-[(2R)-6-methylheptan-2-yl]-3-(4-sulfamoylphenyl)propanamide is CC(C)CCC[C@@H](C)NC(=O)CCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-[(2R)-6-methylheptan-2-yl]-3-(4-sulfamoylphenyl)propanamide?
The InChIKey is IIKUMCLHFJBJDK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-13(2)5-4-6-14(3)19-17(20)12-9-15-7-10-16(11-8-15)23(18,21)22/h7-8,10-11,13-14H,4-6,9,12H2,1-3H3,(H,19,20)(H2,18,21,22)/t14-/m1/s1.
What are the key properties of N-[(2R)-6-methylheptan-2-yl]-3-(4-sulfamoylphenyl)propanamide?
N-[(2R)-6-methylheptan-2-yl]-3-(4-sulfamoylphenyl)propanamide has a molecular weight of 340.49 g/mol, XLogP of 2.60, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-6-methylheptan-2-yl]-3-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 32648505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).