3-[4-[(4-methoxyphenyl)sulfonyl-methylamino]butanoylamino]benzamide

C19H23N3O5S — CID 24617336

IUPAC3-[4-[(4-methoxyphenyl)sulfonyl-methylamino]butanoylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C19H23N3O5S/c1-22(28(25,26)17-10-8-16(27-2)9-11-17)12-4-7-18(23)21-15-6-3-5-14(13-15)19(20)24/h3,5-6,8-11,13H,4,7,12H2,1-2H3,(H2,20,24)(H,21,23)
InChIKeyBFSKGCRXMUFPTH-UHFFFAOYSA-N
MW405.48 g/mol
LogP1.83
Rot. Bonds9

About 3-[4-[(4-methoxyphenyl)sulfonyl-methylamino]butanoylamino]benzamide

3-[4-[(4-methoxyphenyl)sulfonyl-methylamino]butanoylamino]benzamide (PubChem CID 24617336) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is 3-[4-[(4-methoxyphenyl)sulfonyl-methylamino]butanoylamino]benzamide.

Molecular Properties

Compound Name3-[4-[(4-methoxyphenyl)sulfonyl-methylamino]butanoylamino]benzamide
PubChem CID24617336
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC Name3-[4-[(4-methoxyphenyl)sulfonyl-methylamino]butanoylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C19H23N3O5S/c1-22(28(25,26)17-10-8-16(27-2)9-11-17)12-4-7-18(23)21-15-6-3-5-14(13-15)19(20)24/h3,5-6,8-11,13H,4,7,12H2,1-2H3,(H2,20,24)(H,21,23)
InChIKeyBFSKGCRXMUFPTH-UHFFFAOYSA-N
XLogP1.83
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-hydroxyphenyl)butanamide
CID 78791940
4-[(9,10-dioxoanthracen-2-yl)sulfonyl-methylamino]-N-(4-methoxyphenyl)butanamide
CID 18593163
N-(3-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30845467
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-bromophenyl)butanamide
CID 30844560
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(2-methoxyphenoxy)phenyl]butanamide
CID 27901858
methyl 4-[(4-methoxyphenyl)sulfonyl-methylamino]butanoate
CID 60712386
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-prop-2-enoxyphenyl)butanamide
CID 60574539
methyl 3-[4-(4-methoxy-N-methylsulfonylanilino)butanoylamino]benzoate
CID 53286925
6-[methyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)hexanamide
CID 42100975
N-(3-acetylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 4112435
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-nitrophenyl)butanamide
CID 8574452
N-[1-(3-chlorophenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]butanamide
CID 18145083

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-methoxyphenyl)sulfonyl-methylamino]butanoylamino]benzamide?
The IUPAC name of 3-[4-[(4-methoxyphenyl)sulfonyl-methylamino]butanoylamino]benzamide (CID 24617336) is 3-[4-[(4-methoxyphenyl)sulfonyl-methylamino]butanoylamino]benzamide.
What is the SMILES notation for 3-[4-[(4-methoxyphenyl)sulfonyl-methylamino]butanoylamino]benzamide?
The canonical SMILES for 3-[4-[(4-methoxyphenyl)sulfonyl-methylamino]butanoylamino]benzamide is COc1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2cccc(C(N)=O)c2)cc1.
What is the InChIKey of 3-[4-[(4-methoxyphenyl)sulfonyl-methylamino]butanoylamino]benzamide?
The InChIKey is BFSKGCRXMUFPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-22(28(25,26)17-10-8-16(27-2)9-11-17)12-4-7-18(23)21-15-6-3-5-14(13-15)19(20)24/h3,5-6,8-11,13H,4,7,12H2,1-2H3,(H2,20,24)(H,21,23).
What are the key properties of 3-[4-[(4-methoxyphenyl)sulfonyl-methylamino]butanoylamino]benzamide?
3-[4-[(4-methoxyphenyl)sulfonyl-methylamino]butanoylamino]benzamide has a molecular weight of 405.48 g/mol, XLogP of 1.83, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-methoxyphenyl)sulfonyl-methylamino]butanoylamino]benzamide is sourced from PubChem (CID 24617336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).