4-(methylamino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide

C14H23N3O3S — CID 119704161

IUPAC4-(methylamino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide
SMILESCNCCCC(=O)NCCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H23N3O3S/c1-12-5-7-13(8-6-12)21(19,20)17-11-10-16-14(18)4-3-9-15-2/h5-8,15,17H,3-4,9-11H2,1-2H3,(H,16,18)
InChIKeyQTXLGLMNZVNZQQ-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.39
Rot. Bonds9

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

4-(methylamino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide (PubChem CID 119704161) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-(methylamino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide
PubChem CID119704161
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name4-(methylamino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide
SMILESCNCCCC(=O)NCCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H23N3O3S/c1-12-5-7-13(8-6-12)21(19,20)17-11-10-16-14(18)4-3-9-15-2/h5-8,15,17H,3-4,9-11H2,1-2H3,(H,16,18)
InChIKeyQTXLGLMNZVNZQQ-UHFFFAOYSA-N
XLogP0.39
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(benzenesulfonamido)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119704245
7-amino-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]heptanamide
CID 119704157
4-(methylamino)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]butanamide;hydrochloride
CID 119752364
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 33426038
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-4-(4-methylphenoxy)butanamide
CID 108572895
4-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 12673073
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylpropanamide
CID 33338052
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119704291
N-[3-[(4-methylphenyl)sulfonylamino]propyl]propanamide
CID 14382253
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-(4-sulfamoylphenyl)propanamide
CID 33426034
3-[(4-bromophenyl)sulfonylamino]-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431442
N-[2-(methylamino)propyl]-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 120831447

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide?
The IUPAC name of 4-(methylamino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide (CID 119704161) is 4-(methylamino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide.
What is the SMILES notation for 4-(methylamino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide?
The canonical SMILES for 4-(methylamino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide is CNCCCC(=O)NCCNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-(methylamino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide?
The InChIKey is QTXLGLMNZVNZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-12-5-7-13(8-6-12)21(19,20)17-11-10-16-14(18)4-3-9-15-2/h5-8,15,17H,3-4,9-11H2,1-2H3,(H,16,18).
What are the key properties of 4-(methylamino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide?
4-(methylamino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide has a molecular weight of 313.42 g/mol, XLogP of 0.39, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide is sourced from PubChem (CID 119704161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).