N-[(4-chlorophenyl)methyl]-4-(N-methylsulfonylanilino)butanamide

C18H21ClN2O3S — CID 9173648

IUPACN-[(4-chlorophenyl)methyl]-4-(N-methylsulfonylanilino)butanamide
SMILESCS(=O)(=O)N(CCCC(=O)NCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H21ClN2O3S/c1-25(23,24)21(17-6-3-2-4-7-17)13-5-8-18(22)20-14-15-9-11-16(19)12-10-15/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,20,22)
InChIKeyDIWXZCGMMQUDRU-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.20
Rot. Bonds8

About N-[(4-chlorophenyl)methyl]-4-(N-methylsulfonylanilino)butanamide

N-[(4-chlorophenyl)methyl]-4-(N-methylsulfonylanilino)butanamide (PubChem CID 9173648) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-(N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-(N-methylsulfonylanilino)butanamide
PubChem CID9173648
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC NameN-[(4-chlorophenyl)methyl]-4-(N-methylsulfonylanilino)butanamide
SMILESCS(=O)(=O)N(CCCC(=O)NCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H21ClN2O3S/c1-25(23,24)21(17-6-3-2-4-7-17)13-5-8-18(22)20-14-15-9-11-16(19)12-10-15/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,20,22)
InChIKeyDIWXZCGMMQUDRU-UHFFFAOYSA-N
XLogP3.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(N-methylsulfonylanilino)propanamide
CID 113141459
N-[(4-chlorophenyl)methyl]-4-(3-methyl-N-methylsulfonylanilino)butanamide
CID 53285185
4-(4-chloro-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 53285359
N-benzyl-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 21368306
4-(4-chloro-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]butanamide
CID 53285283
N-benzyl-4-(3-methyl-N-methylsulfonylanilino)butanamide
CID 53285343
4-(4-chloro-N-methylsulfonylanilino)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 100553733
N-benzyl-3-(4-ethyl-N-methylsulfonylanilino)propanamide
CID 113142800
4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 53286770
4-(4-chloro-N-methylsulfonylanilino)-N-(2-chlorophenyl)butanamide
CID 9173147
N-[(4-fluorophenyl)methyl]-4-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 53288234
4-(N-methylsulfonylanilino)butanoic acid
CID 50889586

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-(N-methylsulfonylanilino)butanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-(N-methylsulfonylanilino)butanamide (CID 9173648) is N-[(4-chlorophenyl)methyl]-4-(N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-(N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-(N-methylsulfonylanilino)butanamide is CS(=O)(=O)N(CCCC(=O)NCc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-(N-methylsulfonylanilino)butanamide?
The InChIKey is DIWXZCGMMQUDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-25(23,24)21(17-6-3-2-4-7-17)13-5-8-18(22)20-14-15-9-11-16(19)12-10-15/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,20,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-(N-methylsulfonylanilino)butanamide?
N-[(4-chlorophenyl)methyl]-4-(N-methylsulfonylanilino)butanamide has a molecular weight of 380.90 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-(N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 9173648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).