4-(benzenesulfonyl)-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]piperazine-1-carboxamide

C17H26N4O4S — CID 41355719

IUPAC4-(benzenesulfonyl)-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]piperazine-1-carboxamide
SMILESCCCNC(=O)[C@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H26N4O4S/c1-3-9-18-16(22)14(2)19-17(23)20-10-12-21(13-11-20)26(24,25)15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3,(H,18,22)(H,19,23)/t14-/m0/s1
InChIKeyBJZLIWICXQULFM-AWEZNQCLSA-N
MW382.49 g/mol
LogP0.62
Rot. Bonds6

About 4-(benzenesulfonyl)-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]piperazine-1-carboxamide

4-(benzenesulfonyl)-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]piperazine-1-carboxamide (PubChem CID 41355719) has the molecular formula C17H26N4O4S and a molecular weight of 382.49 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]piperazine-1-carboxamide
PubChem CID41355719
Molecular FormulaC17H26N4O4S
Molecular Weight382.49 g/mol
Exact Mass382.17
IUPAC Name4-(benzenesulfonyl)-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]piperazine-1-carboxamide
SMILESCCCNC(=O)[C@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H26N4O4S/c1-3-9-18-16(22)14(2)19-17(23)20-10-12-21(13-11-20)26(24,25)15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3,(H,18,22)(H,19,23)/t14-/m0/s1
InChIKeyBJZLIWICXQULFM-AWEZNQCLSA-N
XLogP0.62
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetyl]amino]-N-propylpropanamide
CID 8692700
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733751
4-(benzenesulfonyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110811945
N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 8733150
4-(2-methylphenyl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]piperazine-1-carboxamide
CID 25479399
4-(4-propan-2-ylphenyl)sulfonyl-N-propyl-1,4-diazepane-1-carboxamide
CID 110811973
4-(benzenesulfonyl)-N-(methoxymethyl)piperazine-1-carboxamide
CID 108893693
3-morpholin-4-ylsulfonyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733022
4-(3-methoxyphenyl)sulfonyl-N-propylpiperazine-1-carboxamide
CID 110811229
4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-(butan-2-ylamino)-3-oxopropyl]-4-oxobutanamide
CID 55948679
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 17191200
4-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)piperazine-1-carboxamide
CID 46673692

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(benzenesulfonyl)-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]piperazine-1-carboxamide (CID 41355719) is 4-(benzenesulfonyl)-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]piperazine-1-carboxamide is CCCNC(=O)[C@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 4-(benzenesulfonyl)-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]piperazine-1-carboxamide?
The InChIKey is BJZLIWICXQULFM-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N4O4S/c1-3-9-18-16(22)14(2)19-17(23)20-10-12-21(13-11-20)26(24,25)15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3,(H,18,22)(H,19,23)/t14-/m0/s1.
What are the key properties of 4-(benzenesulfonyl)-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]piperazine-1-carboxamide?
4-(benzenesulfonyl)-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]piperazine-1-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 41355719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).