2-[4-[(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoyl]piperazin-1-yl]-N-cyclopropylacetamide

C20H29ClN4O4S — CID 24619862

IUPAC2-[4-[(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoyl]piperazin-1-yl]-N-cyclopropylacetamide
SMILESCC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCN(CC(=O)NC2CC2)CC1
InChIInChI=1S/C20H29ClN4O4S/c1-14(2)19(23-30(28,29)17-7-3-15(21)4-8-17)20(27)25-11-9-24(10-12-25)13-18(26)22-16-5-6-16/h3-4,7-8,14,16,19,23H,5-6,9-13H2,1-2H3,(H,22,26)/t19-/m0/s1
InChIKeyIVSJXZRESSFQFL-IBGZPJMESA-N
MW457.00 g/mol
LogP1.07
Rot. Bonds8

About 2-[4-[(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoyl]piperazin-1-yl]-N-cyclopropylacetamide

2-[4-[(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoyl]piperazin-1-yl]-N-cyclopropylacetamide (PubChem CID 24619862) has the molecular formula C20H29ClN4O4S and a molecular weight of 457.00 g/mol. Its IUPAC name is 2-[4-[(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoyl]piperazin-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-[(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoyl]piperazin-1-yl]-N-cyclopropylacetamide
PubChem CID24619862
Molecular FormulaC20H29ClN4O4S
Molecular Weight457.00 g/mol
Exact Mass456.16
IUPAC Name2-[4-[(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoyl]piperazin-1-yl]-N-cyclopropylacetamide
SMILESCC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCN(CC(=O)NC2CC2)CC1
InChIInChI=1S/C20H29ClN4O4S/c1-14(2)19(23-30(28,29)17-7-3-15(21)4-8-17)20(27)25-11-9-24(10-12-25)13-18(26)22-16-5-6-16/h3-4,7-8,14,16,19,23H,5-6,9-13H2,1-2H3,(H,22,26)/t19-/m0/s1
InChIKeyIVSJXZRESSFQFL-IBGZPJMESA-N
XLogP1.07
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.00
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 95234190
N-[(2S)-1-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55942986
N-[(2S)-1-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 41097168
4-methyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]benzenesulfonamide
CID 27670347
N-cyclohexyl-4-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]piperazine-1-carboxamide
CID 55938529
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]butanamide
CID 32524131
2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 51206927
4-methoxy-N-[(2S)-3-methyl-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-oxobutan-2-yl]benzenesulfonamide
CID 55938940
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2S,3R)-2-[(4-chlorophenyl)sulfonylamino]-3-hydroxybutanoate
CID 7169393
2-[4-[2-(4-chlorophenyl)sulfanylacetyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 31427469
2-[4-[2-(2-chlorophenoxy)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 134034895
[2-(cycloheptylamino)-2-oxoethyl] (2R,3R)-2-[(4-chlorophenyl)sulfonylamino]-3-hydroxybutanoate
CID 40917950

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoyl]piperazin-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-[(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoyl]piperazin-1-yl]-N-cyclopropylacetamide (CID 24619862) is 2-[4-[(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoyl]piperazin-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-[(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoyl]piperazin-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-[(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoyl]piperazin-1-yl]-N-cyclopropylacetamide is CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCN(CC(=O)NC2CC2)CC1.
What is the InChIKey of 2-[4-[(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoyl]piperazin-1-yl]-N-cyclopropylacetamide?
The InChIKey is IVSJXZRESSFQFL-IBGZPJMESA-N. The full InChI is InChI=1S/C20H29ClN4O4S/c1-14(2)19(23-30(28,29)17-7-3-15(21)4-8-17)20(27)25-11-9-24(10-12-25)13-18(26)22-16-5-6-16/h3-4,7-8,14,16,19,23H,5-6,9-13H2,1-2H3,(H,22,26)/t19-/m0/s1.
What are the key properties of 2-[4-[(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoyl]piperazin-1-yl]-N-cyclopropylacetamide?
2-[4-[(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoyl]piperazin-1-yl]-N-cyclopropylacetamide has a molecular weight of 457.00 g/mol, XLogP of 1.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoyl]piperazin-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 24619862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).