2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide

C26H30N4O3S — CID 42996416

IUPAC2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
SMILESCC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H30N4O3S/c1-20(26(31)28-23-12-14-24(15-13-23)34(27,32)33)29-16-18-30(19-17-29)25(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,20,25H,16-19H2,1H3,(H,28,31)(H2,27,32,33)
InChIKeyATCPGROCTRPDCZ-UHFFFAOYSA-N
MW478.62 g/mol
LogP3.07
Rot. Bonds7

About 2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide

2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide (PubChem CID 42996416) has the molecular formula C26H30N4O3S and a molecular weight of 478.62 g/mol. Its IUPAC name is 2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
PubChem CID42996416
Molecular FormulaC26H30N4O3S
Molecular Weight478.62 g/mol
Exact Mass478.20
IUPAC Name2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
SMILESCC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H30N4O3S/c1-20(26(31)28-23-12-14-24(15-13-23)34(27,32)33)29-16-18-30(19-17-29)25(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,20,25H,16-19H2,1H3,(H,28,31)(H2,27,32,33)
InChIKeyATCPGROCTRPDCZ-UHFFFAOYSA-N
XLogP3.07
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 42911835
3-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 24588553
2-[4-(2-nitrophenyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide
CID 42998927
(2S)-2-(4-phenylpiperazin-1-yl)-N-(3-sulfamoylphenyl)propanamide
CID 9250166
(2S)-2-[4-(methanesulfonamido)piperidin-1-yl]-N-(4-sulfamoylphenyl)propanamide
CID 41331851
2-(4-benzhydrylpiperazin-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 55430572
2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 43063725
(3S)-1-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 51672985
N-(4-sulfamoylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 55499702
(2R)-2-(azepan-1-yl)-N-(3-sulfamoylphenyl)propanamide
CID 41023511
2-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide
CID 164613992
(2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-chlorophenyl)propanamide
CID 8512070

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide (CID 42996416) is 2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide is CC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is ATCPGROCTRPDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3S/c1-20(26(31)28-23-12-14-24(15-13-23)34(27,32)33)29-16-18-30(19-17-29)25(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,20,25H,16-19H2,1H3,(H,28,31)(H2,27,32,33).
What are the key properties of 2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide?
2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 478.62 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 42996416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).