N-(3,4-dimethylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

C15H18N2O3S2 — CID 3605123

IUPACN-(3,4-dimethylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccs2)cc1C
InChIInChI=1S/C15H18N2O3S2/c1-11-6-7-13(9-12(11)2)16-14(18)10-17(3)22(19,20)15-5-4-8-21-15/h4-9H,10H2,1-3H3,(H,16,18)
InChIKeyNVYWBZDODFOFMX-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.62
Rot. Bonds5

About N-(3,4-dimethylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

N-(3,4-dimethylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 3605123) has the molecular formula C15H18N2O3S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID3605123
Molecular FormulaC15H18N2O3S2
Molecular Weight338.45 g/mol
Exact Mass338.08
IUPAC NameN-(3,4-dimethylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccs2)cc1C
InChIInChI=1S/C15H18N2O3S2/c1-11-6-7-13(9-12(11)2)16-14(18)10-17(3)22(19,20)15-5-4-8-21-15/h4-9H,10H2,1-3H3,(H,16,18)
InChIKeyNVYWBZDODFOFMX-UHFFFAOYSA-N
XLogP2.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-1-(thien-2-ylsulfonyl)piperidine-3-carboxamide
CID 3240002
N-(3,4-dimethylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 4290749
N~1~-(3-Methylphenyl)-2-[methyl(2-thienylsulfonyl)amino]acetamide
CID 4318852
N-[4-(Diethylamino)-2-methylphenyl]-3-methyl-2-(thiophene-2-sulfonamido)butanamide
CID 15988648
[4-(2,3-Dimethylphenyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 15988657
N-[4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butyl]thiophene-2-sulfonamide
CID 11684074
N-(3-Ethylphenyl)-3-phenyl-2-(thiophene-2-sulfonamido)propanamide
CID 15987880
(E)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide
CID 2423320
2-[(4-methylphenyl)(thien-2-ylsulfonyl)amino]-N-(thien-2-ylmethyl)acetamide
CID 3236370
N~1~-(3-fluoro-4-methylphenyl)-N~2~-(thien-2-ylsulfonyl)glycinamide
CID 3238020
N~1~-(3-fluoro-4-methylphenyl)-N~2~-methyl-N~2~-(thien-2-ylsulfonyl)glycinamide
CID 3245041
N-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide
CID 3245390

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 3605123) is N-(3,4-dimethylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccs2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is NVYWBZDODFOFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S2/c1-11-6-7-13(9-12(11)2)16-14(18)10-17(3)22(19,20)15-5-4-8-21-15/h4-9H,10H2,1-3H3,(H,16,18).
What are the key properties of N-(3,4-dimethylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-(3,4-dimethylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 338.45 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 3605123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).