2-[methyl(methylsulfonyl)amino]-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide

C15H18N4O4S2 — CID 143974434

IUPAC2-[methyl(methylsulfonyl)amino]-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide
SMILESCc1csc(CNC(=O)c2cccc(C(N)=O)c2N(C)S(C)(=O)=O)n1
InChIInChI=1S/C15H18N4O4S2/c1-9-8-24-12(18-9)7-17-15(21)11-6-4-5-10(14(16)20)13(11)19(2)25(3,22)23/h4-6,8H,7H2,1-3H3,(H2,16,20)(H,17,21)
InChIKeyLVFAKYIKGIAGEJ-UHFFFAOYSA-N
MW382.47 g/mol
LogP0.88
Rot. Bonds6

About 2-[methyl(methylsulfonyl)amino]-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide

2-[methyl(methylsulfonyl)amino]-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide (PubChem CID 143974434) has the molecular formula C15H18N4O4S2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-[methyl(methylsulfonyl)amino]-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name2-[methyl(methylsulfonyl)amino]-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide
PubChem CID143974434
Molecular FormulaC15H18N4O4S2
Molecular Weight382.47 g/mol
Exact Mass382.08
IUPAC Name2-[methyl(methylsulfonyl)amino]-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide
SMILESCc1csc(CNC(=O)c2cccc(C(N)=O)c2N(C)S(C)(=O)=O)n1
InChIInChI=1S/C15H18N4O4S2/c1-9-8-24-12(18-9)7-17-15(21)11-6-4-5-10(14(16)20)13(11)19(2)25(3,22)23/h4-6,8H,7H2,1-3H3,(H2,16,20)(H,17,21)
InChIKeyLVFAKYIKGIAGEJ-UHFFFAOYSA-N
XLogP0.88
TPSA122.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrrole-3-carboxamide
CID 131895425
3-amino-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 112578497
4-(dimethylsulfamoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 51315975
2-(methylamino)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-nitrobenzamide
CID 115936642
N,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 115688049
N,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 115688065
N'-(2-amino-2-sulfanylideneethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxamide
CID 54962805
6-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 55052730
4-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 60709490
2-amino-5-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 54915790
2-amino-6-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 63659710
2-(2-cyanophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 29278478

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(methylsulfonyl)amino]-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide?
The IUPAC name of 2-[methyl(methylsulfonyl)amino]-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide (CID 143974434) is 2-[methyl(methylsulfonyl)amino]-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 2-[methyl(methylsulfonyl)amino]-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 2-[methyl(methylsulfonyl)amino]-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide is Cc1csc(CNC(=O)c2cccc(C(N)=O)c2N(C)S(C)(=O)=O)n1.
What is the InChIKey of 2-[methyl(methylsulfonyl)amino]-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide?
The InChIKey is LVFAKYIKGIAGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S2/c1-9-8-24-12(18-9)7-17-15(21)11-6-4-5-10(14(16)20)13(11)19(2)25(3,22)23/h4-6,8H,7H2,1-3H3,(H2,16,20)(H,17,21).
What are the key properties of 2-[methyl(methylsulfonyl)amino]-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide?
2-[methyl(methylsulfonyl)amino]-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide has a molecular weight of 382.47 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(methylsulfonyl)amino]-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 143974434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).