4-(3-chloro-N-methylsulfonylanilino)-N-pentylbutanamide

C16H25ClN2O3S — CID 9173654

IUPAC4-(3-chloro-N-methylsulfonylanilino)-N-pentylbutanamide
SMILESCCCCCNC(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C16H25ClN2O3S/c1-3-4-5-11-18-16(20)10-7-12-19(23(2,21)22)15-9-6-8-14(17)13-15/h6,8-9,13H,3-5,7,10-12H2,1-2H3,(H,18,20)
InChIKeyBDNZUWZBFCSTEW-UHFFFAOYSA-N
MW360.91 g/mol
LogP3.19
Rot. Bonds10

About 4-(3-chloro-N-methylsulfonylanilino)-N-pentylbutanamide

4-(3-chloro-N-methylsulfonylanilino)-N-pentylbutanamide (PubChem CID 9173654) has the molecular formula C16H25ClN2O3S and a molecular weight of 360.91 g/mol. Its IUPAC name is 4-(3-chloro-N-methylsulfonylanilino)-N-pentylbutanamide.

Molecular Properties

Compound Name4-(3-chloro-N-methylsulfonylanilino)-N-pentylbutanamide
PubChem CID9173654
Molecular FormulaC16H25ClN2O3S
Molecular Weight360.91 g/mol
Exact Mass360.13
IUPAC Name4-(3-chloro-N-methylsulfonylanilino)-N-pentylbutanamide
SMILESCCCCCNC(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C16H25ClN2O3S/c1-3-4-5-11-18-16(20)10-7-12-19(23(2,21)22)15-9-6-8-14(17)13-15/h6,8-9,13H,3-5,7,10-12H2,1-2H3,(H,18,20)
InChIKeyBDNZUWZBFCSTEW-UHFFFAOYSA-N
XLogP3.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.91
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-chloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide
CID 53285441
N-(2-tert-butylsulfanylethyl)-4-(3-chloro-N-methylsulfonylanilino)butanamide
CID 53285469
N-butyl-2-[4-(3-chloro-N-methylsulfonylanilino)butanoyl-[(4-chlorophenyl)methyl]amino]butanamide
CID 132740233
3-(2,6-dichloro-N-methylsulfonylanilino)-N-pentylpropanamide
CID 113146595
4-(3-chloro-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)butanamide
CID 53285167
3-(3-chloro-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 113143798
N-[2-(3-acetyl-N-methylsulfonylanilino)ethyl]pentanamide
CID 113070961
4-(3-chloro-N-methylsulfonylanilino)-N-cyclooctylbutanamide
CID 9173514
N-[(3-bromophenyl)methyl]-N-[(2S)-1-(butylamino)-1-oxopropan-2-yl]-4-(3-chloro-N-methylsulfonylanilino)butanamide
CID 100571269
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]pentanamide
CID 113070417
4-(3-chloro-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide
CID 53285147
4-(2,5-dichloro-N-methylsulfonylanilino)-N-propylbutanamide
CID 21367329

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-N-methylsulfonylanilino)-N-pentylbutanamide?
The IUPAC name of 4-(3-chloro-N-methylsulfonylanilino)-N-pentylbutanamide (CID 9173654) is 4-(3-chloro-N-methylsulfonylanilino)-N-pentylbutanamide.
What is the SMILES notation for 4-(3-chloro-N-methylsulfonylanilino)-N-pentylbutanamide?
The canonical SMILES for 4-(3-chloro-N-methylsulfonylanilino)-N-pentylbutanamide is CCCCCNC(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of 4-(3-chloro-N-methylsulfonylanilino)-N-pentylbutanamide?
The InChIKey is BDNZUWZBFCSTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O3S/c1-3-4-5-11-18-16(20)10-7-12-19(23(2,21)22)15-9-6-8-14(17)13-15/h6,8-9,13H,3-5,7,10-12H2,1-2H3,(H,18,20).
What are the key properties of 4-(3-chloro-N-methylsulfonylanilino)-N-pentylbutanamide?
4-(3-chloro-N-methylsulfonylanilino)-N-pentylbutanamide has a molecular weight of 360.91 g/mol, XLogP of 3.19, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-N-methylsulfonylanilino)-N-pentylbutanamide is sourced from PubChem (CID 9173654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).