2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide

C15H15ClN6O3S2 — CID 55780634

IUPAC2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide
SMILESCc1ccc(-n2cnnn2)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C15H15ClN6O3S2/c1-10-3-4-11(22-9-17-19-20-22)7-12(10)18-14(23)8-21(2)27(24,25)15-6-5-13(16)26-15/h3-7,9H,8H2,1-2H3,(H,18,23)
InChIKeyTXTBTFAGKXIFBN-UHFFFAOYSA-N
MW426.91 g/mol
LogP1.94
Rot. Bonds6

About 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide

2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 55780634) has the molecular formula C15H15ClN6O3S2 and a molecular weight of 426.91 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide
PubChem CID55780634
Molecular FormulaC15H15ClN6O3S2
Molecular Weight426.91 g/mol
Exact Mass426.03
IUPAC Name2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide
SMILESCc1ccc(-n2cnnn2)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C15H15ClN6O3S2/c1-10-3-4-11(22-9-17-19-20-22)7-12(10)18-14(23)8-21(2)27(24,25)15-6-5-13(16)26-15/h3-7,9H,8H2,1-2H3,(H,18,23)
InChIKeyTXTBTFAGKXIFBN-UHFFFAOYSA-N
XLogP1.94
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.91
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide
CID 55780506
4-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]-N,3-dimethylbenzamide
CID 55705298
2-(tert-butylamino)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide
CID 78923820
5-hydroxy-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pentanamide
CID 79198857
N-[2-methyl-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide
CID 79285286
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-methylphenyl)acetamide
CID 9341591
3-(2,4-dichlorophenyl)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]propanamide
CID 55780794
N-(3-chlorophenyl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide
CID 9412118
N-[2-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 865674
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[4-(dimethylamino)phenyl]acetamide
CID 78776431
N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzamide
CID 60789520
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2,6-difluorophenyl)acetamide
CID 51158900

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide (CID 55780634) is 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide is Cc1ccc(-n2cnnn2)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is TXTBTFAGKXIFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6O3S2/c1-10-3-4-11(22-9-17-19-20-22)7-12(10)18-14(23)8-21(2)27(24,25)15-6-5-13(16)26-15/h3-7,9H,8H2,1-2H3,(H,18,23).
What are the key properties of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide?
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 426.91 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 55780634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).