(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide

C23H31N5O4S — CID 38810187

IUPAC(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C23H31N5O4S/c1-18(26-33(31,32)22-10-8-20(9-11-22)25-19(2)29)23(30)24-12-13-27-14-16-28(17-15-27)21-6-4-3-5-7-21/h3-11,18,26H,12-17H2,1-2H3,(H,24,30)(H,25,29)/t18-/m0/s1
InChIKeyAORDMRRUXRDXPE-SFHVURJKSA-N
MW473.60 g/mol
LogP1.25
Rot. Bonds9

About (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide

(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide (PubChem CID 38810187) has the molecular formula C23H31N5O4S and a molecular weight of 473.60 g/mol. Its IUPAC name is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
PubChem CID38810187
Molecular FormulaC23H31N5O4S
Molecular Weight473.60 g/mol
Exact Mass473.21
IUPAC Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C23H31N5O4S/c1-18(26-33(31,32)22-10-8-20(9-11-22)25-19(2)29)23(30)24-12-13-27-14-16-28(17-15-27)21-6-4-3-5-7-21/h3-11,18,26H,12-17H2,1-2H3,(H,24,30)(H,25,29)/t18-/m0/s1
InChIKeyAORDMRRUXRDXPE-SFHVURJKSA-N
XLogP1.25
TPSA110.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide
CID 24619756
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 55938757
N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide
CID 4240198
2-[2-[(4-acetamidophenyl)sulfonylamino]propanoylamino]propanoic acid
CID 119224998
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-phenylbutyl)propanamide
CID 24513086
N'-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 42268330
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(7-methyloctyl)propanamide
CID 36618447
2-[(4-acetamidophenyl)sulfonylamino]propanoic acid
CID 3393223
N-[3-(4-phenylpiperazin-1-yl)propyl]-2-propan-2-ylsulfonylpropanamide
CID 55965939
N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 5125131
N-[4-[[1,4-dioxo-3-(4-phenylpiperazin-1-yl)naphthalen-2-yl]sulfamoyl]phenyl]acetamide
CID 4203404
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]propanamide
CID 24560457

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide?
The IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide (CID 38810187) is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide?
The canonical SMILES for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide is CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide?
The InChIKey is AORDMRRUXRDXPE-SFHVURJKSA-N. The full InChI is InChI=1S/C23H31N5O4S/c1-18(26-33(31,32)22-10-8-20(9-11-22)25-19(2)29)23(30)24-12-13-27-14-16-28(17-15-27)21-6-4-3-5-7-21/h3-11,18,26H,12-17H2,1-2H3,(H,24,30)(H,25,29)/t18-/m0/s1.
What are the key properties of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide?
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide has a molecular weight of 473.60 g/mol, XLogP of 1.25, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide is sourced from PubChem (CID 38810187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).