3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide

C19H28N4O5S — CID 8733751

IUPAC3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
SMILESCCCNC(=O)[C@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C19H28N4O5S/c1-4-8-20-18(25)14(2)21-19(26)16-6-5-7-17(13-16)29(27,28)23-11-9-22(10-12-23)15(3)24/h5-7,13-14H,4,8-12H2,1-3H3,(H,20,25)(H,21,26)/t14-/m0/s1
InChIKeyBRZWWLOLAZHESO-AWEZNQCLSA-N
MW424.52 g/mol
LogP0.18
Rot. Bonds7

About 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide

3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide (PubChem CID 8733751) has the molecular formula C19H28N4O5S and a molecular weight of 424.52 g/mol. Its IUPAC name is 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide.

Molecular Properties

Compound Name3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
PubChem CID8733751
Molecular FormulaC19H28N4O5S
Molecular Weight424.52 g/mol
Exact Mass424.18
IUPAC Name3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
SMILESCCCNC(=O)[C@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C19H28N4O5S/c1-4-8-20-18(25)14(2)21-19(26)16-6-5-7-17(13-16)29(27,28)23-11-9-22(10-12-23)15(3)24/h5-7,13-14H,4,8-12H2,1-3H3,(H,20,25)(H,21,26)/t14-/m0/s1
InChIKeyBRZWWLOLAZHESO-AWEZNQCLSA-N
XLogP0.18
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-morpholin-4-ylsulfonyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733022
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methylbutyl)benzamide
CID 26636971
N-[1-(ethylamino)-1-oxopropan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 45353538
4-(benzenesulfonyl)-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]piperazine-1-carboxamide
CID 41355719
N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 8733150
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(diethylamino)ethyl]benzamide
CID 19257232
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(dimethylamino)ethyl]benzamide
CID 19257278
3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzylbenzamide
CID 7945609
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 18105522
4-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 8733033
N-(4-acetamidophenyl)-3-(4-acetylpiperazin-1-yl)sulfonylbenzamide
CID 19257265
N-[(2R)-butan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 34269316

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide?
The IUPAC name of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide (CID 8733751) is 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide.
What is the SMILES notation for 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide?
The canonical SMILES for 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide is CCCNC(=O)[C@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1.
What is the InChIKey of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide?
The InChIKey is BRZWWLOLAZHESO-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H28N4O5S/c1-4-8-20-18(25)14(2)21-19(26)16-6-5-7-17(13-16)29(27,28)23-11-9-22(10-12-23)15(3)24/h5-7,13-14H,4,8-12H2,1-3H3,(H,20,25)(H,21,26)/t14-/m0/s1.
What are the key properties of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide?
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide has a molecular weight of 424.52 g/mol, XLogP of 0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide is sourced from PubChem (CID 8733751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).