3-[(4-methylphenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide

C27H30N4O4S — CID 17154229

IUPAC3-[(4-methylphenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)Nc2ccccc2C(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C27H30N4O4S/c1-21-11-13-23(14-12-21)36(34,35)28-16-15-26(32)29-25-10-6-5-9-24(25)27(33)31-19-17-30(18-20-31)22-7-3-2-4-8-22/h2-14,28H,15-20H2,1H3,(H,29,32)
InChIKeyIZZGXTZNPLCVLB-UHFFFAOYSA-N
MW506.63 g/mol
LogP3.26
Rot. Bonds8

About 3-[(4-methylphenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide

3-[(4-methylphenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide (PubChem CID 17154229) has the molecular formula C27H30N4O4S and a molecular weight of 506.63 g/mol. Its IUPAC name is 3-[(4-methylphenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[(4-methylphenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide
PubChem CID17154229
Molecular FormulaC27H30N4O4S
Molecular Weight506.63 g/mol
Exact Mass506.20
IUPAC Name3-[(4-methylphenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)Nc2ccccc2C(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C27H30N4O4S/c1-21-11-13-23(14-12-21)36(34,35)28-16-15-26(32)29-25-10-6-5-9-24(25)27(33)31-19-17-30(18-20-31)22-7-3-2-4-8-22/h2-14,28H,15-20H2,1H3,(H,29,32)
InChIKeyIZZGXTZNPLCVLB-UHFFFAOYSA-N
XLogP3.26
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.63
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide
CID 17192294
2-(4-methylphenyl)sulfonyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 17309535
3-(benzenesulfonamido)-N-[2-(4-methylbenzoyl)phenyl]propanamide
CID 86807944
N-(2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 17154113
1-[2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]benzoyl]piperidine-4-carboxamide
CID 55932978
N-[(4-methylphenyl)methyl]-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide
CID 17154248
N-[2-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-4-methylbenzenesulfonamide
CID 2967350
N-benzyl-N-methyl-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide
CID 17154235
4-chloro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 2989258
2-(4-methylphenyl)sulfonyl-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 17309534
N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]-2-phenylsulfanylacetamide
CID 2956631
3-(benzenesulfonamido)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 55359461

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide?
The IUPAC name of 3-[(4-methylphenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide (CID 17154229) is 3-[(4-methylphenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for 3-[(4-methylphenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for 3-[(4-methylphenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide is Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccccc2C(=O)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 3-[(4-methylphenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide?
The InChIKey is IZZGXTZNPLCVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4S/c1-21-11-13-23(14-12-21)36(34,35)28-16-15-26(32)29-25-10-6-5-9-24(25)27(33)31-19-17-30(18-20-31)22-7-3-2-4-8-22/h2-14,28H,15-20H2,1H3,(H,29,32).
What are the key properties of 3-[(4-methylphenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide?
3-[(4-methylphenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide has a molecular weight of 506.63 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 17154229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).