N-heptyl-2-[(4-methylphenyl)sulfonylamino]butanamide

C18H30N2O3S — CID 4624697

IUPACN-heptyl-2-[(4-methylphenyl)sulfonylamino]butanamide
SMILESCCCCCCCNC(=O)C(CC)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H30N2O3S/c1-4-6-7-8-9-14-19-18(21)17(5-2)20-24(22,23)16-12-10-15(3)11-13-16/h10-13,17,20H,4-9,14H2,1-3H3,(H,19,21)
InChIKeyONQCMRCXNKIXHA-UHFFFAOYSA-N
MW354.52 g/mol
LogP3.14
Rot. Bonds11

About N-heptyl-2-[(4-methylphenyl)sulfonylamino]butanamide

N-heptyl-2-[(4-methylphenyl)sulfonylamino]butanamide (PubChem CID 4624697) has the molecular formula C18H30N2O3S and a molecular weight of 354.52 g/mol. Its IUPAC name is N-heptyl-2-[(4-methylphenyl)sulfonylamino]butanamide.

Molecular Properties

Compound NameN-heptyl-2-[(4-methylphenyl)sulfonylamino]butanamide
PubChem CID4624697
Molecular FormulaC18H30N2O3S
Molecular Weight354.52 g/mol
Exact Mass354.20
IUPAC NameN-heptyl-2-[(4-methylphenyl)sulfonylamino]butanamide
SMILESCCCCCCCNC(=O)C(CC)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H30N2O3S/c1-4-6-7-8-9-14-19-18(21)17(5-2)20-24(22,23)16-12-10-15(3)11-13-16/h10-13,17,20H,4-9,14H2,1-3H3,(H,19,21)
InChIKeyONQCMRCXNKIXHA-UHFFFAOYSA-N
XLogP3.14
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-hexyl-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 7230015
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 3643187
1-(4-methylphenyl)sulfonyl-3-tetradecylurea
CID 21459633
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-ylbutanamide
CID 7730689
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[4-[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]butyl]propanamide
CID 23246042
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propylpentanamide
CID 18104806
2-[(4-methylphenyl)sulfonylamino]butanoate
CID 4987554
(2R)-N-butyl-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetamide
CID 102010985
(2R)-2-[(4-methylphenyl)sulfonylamino]-N,N'-dipropylpentanediamide
CID 7126519
2-[(4-fluorophenyl)sulfonylamino]-N-heptyl-3-phenylpropanamide
CID 20967531
N-(3-butoxypropyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 46652731
2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide
CID 5039910

Frequently Asked Questions

What is the IUPAC name of N-heptyl-2-[(4-methylphenyl)sulfonylamino]butanamide?
The IUPAC name of N-heptyl-2-[(4-methylphenyl)sulfonylamino]butanamide (CID 4624697) is N-heptyl-2-[(4-methylphenyl)sulfonylamino]butanamide.
What is the SMILES notation for N-heptyl-2-[(4-methylphenyl)sulfonylamino]butanamide?
The canonical SMILES for N-heptyl-2-[(4-methylphenyl)sulfonylamino]butanamide is CCCCCCCNC(=O)C(CC)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-heptyl-2-[(4-methylphenyl)sulfonylamino]butanamide?
The InChIKey is ONQCMRCXNKIXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3S/c1-4-6-7-8-9-14-19-18(21)17(5-2)20-24(22,23)16-12-10-15(3)11-13-16/h10-13,17,20H,4-9,14H2,1-3H3,(H,19,21).
What are the key properties of N-heptyl-2-[(4-methylphenyl)sulfonylamino]butanamide?
N-heptyl-2-[(4-methylphenyl)sulfonylamino]butanamide has a molecular weight of 354.52 g/mol, XLogP of 3.14, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-2-[(4-methylphenyl)sulfonylamino]butanamide is sourced from PubChem (CID 4624697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).