2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide

C18H19ClN4O3S2 — CID 18102280

IUPAC2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
SMILESCN(CC(=O)NC(c1ccccc1)c1nccn1C)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C18H19ClN4O3S2/c1-22-11-10-20-18(22)17(13-6-4-3-5-7-13)21-15(24)12-23(2)28(25,26)16-9-8-14(19)27-16/h3-11,17H,12H2,1-2H3,(H,21,24)
InChIKeyMKYUHSYDTRVNOH-UHFFFAOYSA-N
MW438.96 g/mol
LogP2.66
Rot. Bonds7

About 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide

2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide (PubChem CID 18102280) has the molecular formula C18H19ClN4O3S2 and a molecular weight of 438.96 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
PubChem CID18102280
Molecular FormulaC18H19ClN4O3S2
Molecular Weight438.96 g/mol
Exact Mass438.06
IUPAC Name2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
SMILESCN(CC(=O)NC(c1ccccc1)c1nccn1C)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C18H19ClN4O3S2/c1-22-11-10-20-18(22)17(13-6-4-3-5-7-13)21-15(24)12-23(2)28(25,26)16-9-8-14(19)27-16/h3-11,17H,12H2,1-2H3,(H,21,24)
InChIKeyMKYUHSYDTRVNOH-UHFFFAOYSA-N
XLogP2.66
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-chlorothiophen-2-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide
CID 42937336
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 42924236
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 38079477
2-chloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]-5-[methyl(phenyl)sulfamoyl]benzamide
CID 42921397
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]acetamide
CID 17477970
3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 61253020
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide
CID 40809503
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(1-hydroxypropan-2-yl)acetamide
CID 78857238
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51559087
N-[2-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]ethyl]benzamide
CID 38204108
2-(3-chloro-N-methylsulfonylanilino)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25357774
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
CID 55750268

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide (CID 18102280) is 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide is CN(CC(=O)NC(c1ccccc1)c1nccn1C)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide?
The InChIKey is MKYUHSYDTRVNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3S2/c1-22-11-10-20-18(22)17(13-6-4-3-5-7-13)21-15(24)12-23(2)28(25,26)16-9-8-14(19)27-16/h3-11,17H,12H2,1-2H3,(H,21,24).
What are the key properties of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide?
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide has a molecular weight of 438.96 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide is sourced from PubChem (CID 18102280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).