4-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]-N,3-dimethylbenzamide

C16H18ClN3O4S2 — CID 55705298

IUPAC4-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)c(C)c1
InChIInChI=1S/C16H18ClN3O4S2/c1-10-8-11(16(22)18-2)4-5-12(10)19-14(21)9-20(3)26(23,24)15-7-6-13(17)25-15/h4-8H,9H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyRUWAILLPRFSZMX-UHFFFAOYSA-N
MW415.92 g/mol
LogP2.33
Rot. Bonds6

About 4-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]-N,3-dimethylbenzamide

4-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]-N,3-dimethylbenzamide (PubChem CID 55705298) has the molecular formula C16H18ClN3O4S2 and a molecular weight of 415.92 g/mol. Its IUPAC name is 4-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]-N,3-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]-N,3-dimethylbenzamide
PubChem CID55705298
Molecular FormulaC16H18ClN3O4S2
Molecular Weight415.92 g/mol
Exact Mass415.04
IUPAC Name4-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)c(C)c1
InChIInChI=1S/C16H18ClN3O4S2/c1-10-8-11(16(22)18-2)4-5-12(10)19-14(21)9-20(3)26(23,24)15-7-6-13(17)25-15/h4-8H,9H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyRUWAILLPRFSZMX-UHFFFAOYSA-N
XLogP2.33
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]-N,3-dimethylbenzamide with MolForge

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Related Compounds

2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-methylphenyl)acetamide
CID 9341591
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide
CID 55780634
N-(3-chlorophenyl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide
CID 9412118
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[4-(dimethylamino)phenyl]acetamide
CID 78776431
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2,6-difluorophenyl)acetamide
CID 51158900
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 38253630
N-[2-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]ethyl]benzamide
CID 38204108
methyl 2-chloro-5-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 38238252
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(dicyclopropylmethyl)acetamide
CID 30372779
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-hydroxy-2-pyridinyl)acetamide
CID 30160286
N-[3-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]phenyl]cyclopropanecarboxamide
CID 46584820
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(1-hydroxypropan-2-yl)acetamide
CID 78857238

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]-N,3-dimethylbenzamide?
The IUPAC name of 4-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]-N,3-dimethylbenzamide (CID 55705298) is 4-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]-N,3-dimethylbenzamide.
What is the SMILES notation for 4-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]-N,3-dimethylbenzamide?
The canonical SMILES for 4-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]-N,3-dimethylbenzamide is CNC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)c(C)c1.
What is the InChIKey of 4-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]-N,3-dimethylbenzamide?
The InChIKey is RUWAILLPRFSZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O4S2/c1-10-8-11(16(22)18-2)4-5-12(10)19-14(21)9-20(3)26(23,24)15-7-6-13(17)25-15/h4-8H,9H2,1-3H3,(H,18,22)(H,19,21).
What are the key properties of 4-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]-N,3-dimethylbenzamide?
4-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]-N,3-dimethylbenzamide has a molecular weight of 415.92 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]-N,3-dimethylbenzamide is sourced from PubChem (CID 55705298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).