2-(4-chlorophenyl)-2-methyl-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]propanamide

C22H25ClN4O3S — CID 167763166

IUPAC2-(4-chlorophenyl)-2-methyl-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]propanamide
SMILESCn1cc(S(=O)(=O)NCC(NC(=O)C(C)(C)c2ccc(Cl)cc2)c2ccccc2)cn1
InChIInChI=1S/C22H25ClN4O3S/c1-22(2,17-9-11-18(23)12-10-17)21(28)26-20(16-7-5-4-6-8-16)14-25-31(29,30)19-13-24-27(3)15-19/h4-13,15,20,25H,14H2,1-3H3,(H,26,28)
InChIKeyPLQUQKMGEQTHPC-UHFFFAOYSA-N
MW460.99 g/mol
LogP3.19
Rot. Bonds8

About 2-(4-chlorophenyl)-2-methyl-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]propanamide

2-(4-chlorophenyl)-2-methyl-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]propanamide (PubChem CID 167763166) has the molecular formula C22H25ClN4O3S and a molecular weight of 460.99 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-methyl-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-methyl-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]propanamide
PubChem CID167763166
Molecular FormulaC22H25ClN4O3S
Molecular Weight460.99 g/mol
Exact Mass460.13
IUPAC Name2-(4-chlorophenyl)-2-methyl-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]propanamide
SMILESCn1cc(S(=O)(=O)NCC(NC(=O)C(C)(C)c2ccc(Cl)cc2)c2ccccc2)cn1
InChIInChI=1S/C22H25ClN4O3S/c1-22(2,17-9-11-18(23)12-10-17)21(28)26-20(16-7-5-4-6-8-16)14-25-31(29,30)19-13-24-27(3)15-19/h4-13,15,20,25H,14H2,1-3H3,(H,26,28)
InChIKeyPLQUQKMGEQTHPC-UHFFFAOYSA-N
XLogP3.19
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.99
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopentyloxy-2,2-dimethyl-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]propanamide
CID 167802272
3-chloro-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]thiophene-2-carboxamide
CID 167853866
5-bromo-4-chloro-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]thiophene-3-carboxamide
CID 167848596
3-(4-bromophenyl)-2,2-difluoro-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]propanamide
CID 167751555
1-butyl-5-chloro-3-methyl-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]pyrazole-4-carboxamide
CID 167885432
4-bromo-3-methoxy-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]-1,2-thiazole-5-carboxamide
CID 167979449
1-(3-bromo-2-methylphenyl)-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]cyclopropane-1-carboxamide
CID 167761941
N-(2-chloropropyl)-1-methylpyrazole-4-sulfonamide
CID 65033783
2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylpropanoic acid
CID 62487843
N-[(2R)-2-benzyl-3-methylbutyl]-1-methylpyrazole-4-sulfonamide
CID 124864281
N-[(2S)-2-benzyl-3-methylbutyl]-1-methylpyrazole-4-sulfonamide
CID 124864282
N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide
CID 63298486

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-methyl-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]propanamide?
The IUPAC name of 2-(4-chlorophenyl)-2-methyl-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]propanamide (CID 167763166) is 2-(4-chlorophenyl)-2-methyl-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-2-methyl-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]propanamide?
The canonical SMILES for 2-(4-chlorophenyl)-2-methyl-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]propanamide is Cn1cc(S(=O)(=O)NCC(NC(=O)C(C)(C)c2ccc(Cl)cc2)c2ccccc2)cn1.
What is the InChIKey of 2-(4-chlorophenyl)-2-methyl-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]propanamide?
The InChIKey is PLQUQKMGEQTHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O3S/c1-22(2,17-9-11-18(23)12-10-17)21(28)26-20(16-7-5-4-6-8-16)14-25-31(29,30)19-13-24-27(3)15-19/h4-13,15,20,25H,14H2,1-3H3,(H,26,28).
What are the key properties of 2-(4-chlorophenyl)-2-methyl-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]propanamide?
2-(4-chlorophenyl)-2-methyl-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]propanamide has a molecular weight of 460.99 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-methyl-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]propanamide is sourced from PubChem (CID 167763166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).