4-[2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoyl]-2-methyl-N-propan-2-ylpiperazine-1-carboxamide

C25H34N4O5S — CID 42707544

IUPAC4-[2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoyl]-2-methyl-N-propan-2-ylpiperazine-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)N2CCN(C(=O)NC(C)C)C(C)C2)cc1
InChIInChI=1S/C25H34N4O5S/c1-18(2)26-25(31)29-15-14-28(17-19(29)3)24(30)23(16-20-8-6-5-7-9-20)27-35(32,33)22-12-10-21(34-4)11-13-22/h5-13,18-19,23,27H,14-17H2,1-4H3,(H,26,31)
InChIKeyZDJZMEYTVZFZFY-UHFFFAOYSA-N
MW502.64 g/mol
LogP2.24
Rot. Bonds8

About 4-[2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoyl]-2-methyl-N-propan-2-ylpiperazine-1-carboxamide

4-[2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoyl]-2-methyl-N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 42707544) has the molecular formula C25H34N4O5S and a molecular weight of 502.64 g/mol. Its IUPAC name is 4-[2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoyl]-2-methyl-N-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoyl]-2-methyl-N-propan-2-ylpiperazine-1-carboxamide
PubChem CID42707544
Molecular FormulaC25H34N4O5S
Molecular Weight502.64 g/mol
Exact Mass502.22
IUPAC Name4-[2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoyl]-2-methyl-N-propan-2-ylpiperazine-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)N2CCN(C(=O)NC(C)C)C(C)C2)cc1
InChIInChI=1S/C25H34N4O5S/c1-18(2)26-25(31)29-15-14-28(17-19(29)3)24(30)23(16-20-8-6-5-7-9-20)27-35(32,33)22-12-10-21(34-4)11-13-22/h5-13,18-19,23,27H,14-17H2,1-4H3,(H,26,31)
InChIKeyZDJZMEYTVZFZFY-UHFFFAOYSA-N
XLogP2.24
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.64
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-[3-phenyl-2-(phenylcarbamoylamino)propanoyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 42707531
4-[2-[[2-(4-chlorophenoxy)acetyl]amino]-3-phenylpropanoyl]-2-methyl-N-propan-2-ylpiperazine-1-carboxamide
CID 42707519
N-cyclohexyl-4-[2-[(4-methoxyphenyl)sulfonylamino]-3-methylpentanoyl]-2-methylpiperazine-1-carboxamide
CID 42724995
methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 2496939
3,4-dimethoxy-N-[(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 94862831
2-methyl-4-[3-methyl-2-[(2-phenylacetyl)amino]pentanoyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 4539298
4-[2-[(2,4-difluorophenyl)carbamoylamino]-3-phenylpropanoyl]-2-methyl-N-propan-2-ylpiperazine-1-carboxamide
CID 42707537
4-methoxy-3-methyl-N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide
CID 30143745
ethyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 101017331
4-ethoxy-N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 30144466
(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 30167333
(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 30167334

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoyl]-2-methyl-N-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoyl]-2-methyl-N-propan-2-ylpiperazine-1-carboxamide (CID 42707544) is 4-[2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoyl]-2-methyl-N-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoyl]-2-methyl-N-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoyl]-2-methyl-N-propan-2-ylpiperazine-1-carboxamide is COc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)N2CCN(C(=O)NC(C)C)C(C)C2)cc1.
What is the InChIKey of 4-[2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoyl]-2-methyl-N-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is ZDJZMEYTVZFZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O5S/c1-18(2)26-25(31)29-15-14-28(17-19(29)3)24(30)23(16-20-8-6-5-7-9-20)27-35(32,33)22-12-10-21(34-4)11-13-22/h5-13,18-19,23,27H,14-17H2,1-4H3,(H,26,31).
What are the key properties of 4-[2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoyl]-2-methyl-N-propan-2-ylpiperazine-1-carboxamide?
4-[2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoyl]-2-methyl-N-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 502.64 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoyl]-2-methyl-N-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 42707544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).