N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide

C19H25N3O4S2 — CID 24681923

IUPACN-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
SMILESCc1cccc(NC(=O)CNC(=O)CCCN(C)S(=O)(=O)c2cccs2)c1C
InChIInChI=1S/C19H25N3O4S2/c1-14-7-4-8-16(15(14)2)21-18(24)13-20-17(23)9-5-11-22(3)28(25,26)19-10-6-12-27-19/h4,6-8,10,12H,5,9,11,13H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyLHBBDCPZTLVTHX-UHFFFAOYSA-N
MW423.56 g/mol
LogP2.52
Rot. Bonds9

About N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide (PubChem CID 24681923) has the molecular formula C19H25N3O4S2 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
PubChem CID24681923
Molecular FormulaC19H25N3O4S2
Molecular Weight423.56 g/mol
Exact Mass423.13
IUPAC NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
SMILESCc1cccc(NC(=O)CNC(=O)CCCN(C)S(=O)(=O)c2cccs2)c1C
InChIInChI=1S/C19H25N3O4S2/c1-14-7-4-8-16(15(14)2)21-18(24)13-20-17(23)9-5-11-22(3)28(25,26)19-10-6-12-27-19/h4,6-8,10,12H,5,9,11,13H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyLHBBDCPZTLVTHX-UHFFFAOYSA-N
XLogP2.52
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylphenyl)-2-[methyl-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide
CID 27808046
N-[2-(2-methylpropanoylamino)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24666466
N-(2-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4117119
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)butanamide
CID 18136265
N-[(4-fluoro-3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 18138818
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide
CID 167766558
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-(oxolan-2-ylmethyl)butanamide
CID 18160350
N-(1-adamantyl)-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 17440887
N-[(4-methylphenyl)-phenylmethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24596245
2-[(2-bromoacetyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 55246569
2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2,3-dimethylphenyl)acetamide
CID 24616544
N-[2-(2-ethylanilino)-2-oxoethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]butanamide
CID 24616235

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide?
The IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide (CID 24681923) is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide.
What is the SMILES notation for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide?
The canonical SMILES for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide is Cc1cccc(NC(=O)CNC(=O)CCCN(C)S(=O)(=O)c2cccs2)c1C.
What is the InChIKey of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide?
The InChIKey is LHBBDCPZTLVTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S2/c1-14-7-4-8-16(15(14)2)21-18(24)13-20-17(23)9-5-11-22(3)28(25,26)19-10-6-12-27-19/h4,6-8,10,12H,5,9,11,13H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide?
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide has a molecular weight of 423.56 g/mol, XLogP of 2.52, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide is sourced from PubChem (CID 24681923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).