N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide

C19H30N4O4S — CID 8730679

IUPACN-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCC[C@H](C)NC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1
InChIInChI=1S/C19H30N4O4S/c1-5-16(4)20-19(25)21-18(24)13-22-8-10-23(11-9-22)28(26,27)17-7-6-14(2)12-15(17)3/h6-7,12,16H,5,8-11,13H2,1-4H3,(H2,20,21,24,25)/t16-/m0/s1
InChIKeyWHJSLKIEXUNWGY-INIZCTEOSA-N
MW410.54 g/mol
LogP1.23
Rot. Bonds6

About N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide

N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 8730679) has the molecular formula C19H30N4O4S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID8730679
Molecular FormulaC19H30N4O4S
Molecular Weight410.54 g/mol
Exact Mass410.20
IUPAC NameN-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCC[C@H](C)NC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1
InChIInChI=1S/C19H30N4O4S/c1-5-16(4)20-19(25)21-18(24)13-22-8-10-23(11-9-22)28(26,27)17-7-6-14(2)12-15(17)3/h6-7,12,16H,5,8-11,13H2,1-4H3,(H2,20,21,24,25)/t16-/m0/s1
InChIKeyWHJSLKIEXUNWGY-INIZCTEOSA-N
XLogP1.23
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide with MolForge

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Related Compounds

2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 8730834
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 8730839
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
CID 8744706
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 8744306
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-prop-2-ynylacetamide
CID 8787857
N-(3,5-difluorophenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 24680053
N-(4-bromophenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 1178330
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 8758014
N-[(2R)-butan-2-yl]-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8758170
N-[(2R)-butan-2-yl]-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8747785
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 8730879
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide
CID 36849344

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide (CID 8730679) is N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide is CC[C@H](C)NC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1.
What is the InChIKey of N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is WHJSLKIEXUNWGY-INIZCTEOSA-N. The full InChI is InChI=1S/C19H30N4O4S/c1-5-16(4)20-19(25)21-18(24)13-22-8-10-23(11-9-22)28(26,27)17-7-6-14(2)12-15(17)3/h6-7,12,16H,5,8-11,13H2,1-4H3,(H2,20,21,24,25)/t16-/m0/s1.
What are the key properties of N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide?
N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 410.54 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 8730679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).