N-[2-[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]phenyl]butanamide

C19H23N3O4S — CID 2219889

IUPACN-[2-[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H23N3O4S/c1-3-9-18(23)20-16-12-7-8-13-17(16)21-19(24)14-22(2)27(25,26)15-10-5-4-6-11-15/h4-8,10-13H,3,9,14H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyIIFSGAYMWJVWAZ-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.68
Rot. Bonds8

About N-[2-[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]phenyl]butanamide

N-[2-[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]phenyl]butanamide (PubChem CID 2219889) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[2-[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[2-[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]phenyl]butanamide
PubChem CID2219889
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-[2-[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H23N3O4S/c1-3-9-18(23)20-16-12-7-8-13-17(16)21-19(24)14-22(2)27(25,26)15-10-5-4-6-11-15/h4-8,10-13H,3,9,14H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyIIFSGAYMWJVWAZ-UHFFFAOYSA-N
XLogP2.68
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Benzenesulfonyl)-1,3-dihydroquinoxalin-2-one
CID 1093237
4-(4-Fluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 1093238
N-{4-[(phenylsulfonyl)amino]phenyl}acetamide
CID 676046
N-(4-sulfamoylphenyl)pentanamide
CID 4258082
2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 1241259
2,2-dimethyl-N-{4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}propanamide
CID 2236672
N-(2,4-difluorophenyl)-2-[(phenylsulfonyl)amino]acetamide
CID 900314
N-[4-[methyl(phenyl)sulfamoyl]phenyl]cyclopropanecarboxamide
CID 974694
2-Azepan-1-yl-N-[4-(piperidine-1-sulfonyl)-phenyl]-acetamide
CID 1152663
(2S)-2-(benzenesulfonamido)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide
CID 2123914
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]cyclobutanecarboxamide
CID 2354529
5-[(2,4-difluorophenyl)sulfonyl]-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
CID 2814935

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]phenyl]butanamide?
The IUPAC name of N-[2-[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]phenyl]butanamide (CID 2219889) is N-[2-[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]phenyl]butanamide.
What is the SMILES notation for N-[2-[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]phenyl]butanamide?
The canonical SMILES for N-[2-[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]phenyl]butanamide is CCCC(=O)Nc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]phenyl]butanamide?
The InChIKey is IIFSGAYMWJVWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-3-9-18(23)20-16-12-7-8-13-17(16)21-19(24)14-22(2)27(25,26)15-10-5-4-6-11-15/h4-8,10-13H,3,9,14H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-[2-[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]phenyl]butanamide?
N-[2-[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]phenyl]butanamide has a molecular weight of 389.48 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]phenyl]butanamide is sourced from PubChem (CID 2219889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).