3-chloro-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]thiophene-2-carboxamide

C17H17ClN4O3S2 — CID 167853866

IUPAC3-chloro-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]thiophene-2-carboxamide
SMILESCn1cc(S(=O)(=O)NCC(NC(=O)c2sccc2Cl)c2ccccc2)cn1
InChIInChI=1S/C17H17ClN4O3S2/c1-22-11-13(9-19-22)27(24,25)20-10-15(12-5-3-2-4-6-12)21-17(23)16-14(18)7-8-26-16/h2-9,11,15,20H,10H2,1H3,(H,21,23)
InChIKeyMKEUFTPGZHYVBZ-UHFFFAOYSA-N
MW424.94 g/mol
LogP2.58
Rot. Bonds7

About 3-chloro-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]thiophene-2-carboxamide

3-chloro-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]thiophene-2-carboxamide (PubChem CID 167853866) has the molecular formula C17H17ClN4O3S2 and a molecular weight of 424.94 g/mol. Its IUPAC name is 3-chloro-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]thiophene-2-carboxamide
PubChem CID167853866
Molecular FormulaC17H17ClN4O3S2
Molecular Weight424.94 g/mol
Exact Mass424.04
IUPAC Name3-chloro-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]thiophene-2-carboxamide
SMILESCn1cc(S(=O)(=O)NCC(NC(=O)c2sccc2Cl)c2ccccc2)cn1
InChIInChI=1S/C17H17ClN4O3S2/c1-22-11-13(9-19-22)27(24,25)20-10-15(12-5-3-2-4-6-12)21-17(23)16-14(18)7-8-26-16/h2-9,11,15,20H,10H2,1H3,(H,21,23)
InChIKeyMKEUFTPGZHYVBZ-UHFFFAOYSA-N
XLogP2.58
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.94
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-4-chloro-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]thiophene-3-carboxamide
CID 167848596
4-bromo-3-methoxy-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]-1,2-thiazole-5-carboxamide
CID 167979449
2-(4-chlorophenyl)-2-methyl-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]propanamide
CID 167763166
1-butyl-5-chloro-3-methyl-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]pyrazole-4-carboxamide
CID 167885432
3-(4-bromophenyl)-2,2-difluoro-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]propanamide
CID 167751555
3-cyclopentyloxy-2,2-dimethyl-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]propanamide
CID 167802272
1-(3-bromo-2-methylphenyl)-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]cyclopropane-1-carboxamide
CID 167761941
N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-4-sulfonamide
CID 113351389
3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylic acid
CID 43443076
N-(2-chloropropyl)-1-methylpyrazole-4-sulfonamide
CID 65033783
N-[(2S)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide
CID 100726343
N-[(2R)-2-benzyl-3-methylbutyl]-1-methylpyrazole-4-sulfonamide
CID 124864281

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]thiophene-2-carboxamide (CID 167853866) is 3-chloro-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]thiophene-2-carboxamide is Cn1cc(S(=O)(=O)NCC(NC(=O)c2sccc2Cl)c2ccccc2)cn1.
What is the InChIKey of 3-chloro-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]thiophene-2-carboxamide?
The InChIKey is MKEUFTPGZHYVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O3S2/c1-22-11-13(9-19-22)27(24,25)20-10-15(12-5-3-2-4-6-12)21-17(23)16-14(18)7-8-26-16/h2-9,11,15,20H,10H2,1H3,(H,21,23).
What are the key properties of 3-chloro-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]thiophene-2-carboxamide?
3-chloro-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]thiophene-2-carboxamide has a molecular weight of 424.94 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 167853866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).