3-(carbamoylamino)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-phenylpropanamide

C23H23FN4O5S — CID 24637286

IUPAC3-(carbamoylamino)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-phenylpropanamide
SMILESCOc1ccc(NC(=O)CC(NC(N)=O)c2ccccc2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H23FN4O5S/c1-33-21-12-9-17(13-20(21)28-34(31,32)18-10-7-16(24)8-11-18)26-22(29)14-19(27-23(25)30)15-5-3-2-4-6-15/h2-13,19,28H,14H2,1H3,(H,26,29)(H3,25,27,30)
InChIKeyYXQWDOBVWNAHKX-UHFFFAOYSA-N
MW486.53 g/mol
LogP3.37
Rot. Bonds9

About 3-(carbamoylamino)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-phenylpropanamide

3-(carbamoylamino)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-phenylpropanamide (PubChem CID 24637286) has the molecular formula C23H23FN4O5S and a molecular weight of 486.53 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-phenylpropanamide
PubChem CID24637286
Molecular FormulaC23H23FN4O5S
Molecular Weight486.53 g/mol
Exact Mass486.14
IUPAC Name3-(carbamoylamino)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-phenylpropanamide
SMILESCOc1ccc(NC(=O)CC(NC(N)=O)c2ccccc2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H23FN4O5S/c1-33-21-12-9-17(13-20(21)28-34(31,32)18-10-7-16(24)8-11-18)26-22(29)14-19(27-23(25)30)15-5-3-2-4-6-15/h2-13,19,28H,14H2,1H3,(H,26,29)(H3,25,27,30)
InChIKeyYXQWDOBVWNAHKX-UHFFFAOYSA-N
XLogP3.37
TPSA139.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.53
LogP ≤ 53.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-phenoxyacetamide
CID 2451011
2-(4-fluorophenyl)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 34091807
2-(carbamoylamino)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-methylpentanamide
CID 3525774
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-phenoxybutanamide
CID 4788551
(3S)-3-acetamido-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-phenylpropanamide
CID 40862928
(2R)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbutanamide
CID 30291890
4-fluoro-N-[2-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-2-oxoethyl]benzamide
CID 37041042
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-(4-methylphenyl)propanamide
CID 16580146
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]pyridine-2-carboxamide
CID 7908354
4-ethoxy-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methoxybenzamide
CID 31307715
(3R)-3-acetamido-N-(4-methoxy-3-sulfamoylphenyl)-3-phenylpropanamide
CID 7999988
4-fluoro-N-[5-(methanesulfonamido)-2-methoxyphenyl]benzenesulfonamide
CID 8903058

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-phenylpropanamide?
The IUPAC name of 3-(carbamoylamino)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-phenylpropanamide (CID 24637286) is 3-(carbamoylamino)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-phenylpropanamide.
What is the SMILES notation for 3-(carbamoylamino)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-phenylpropanamide?
The canonical SMILES for 3-(carbamoylamino)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-phenylpropanamide is COc1ccc(NC(=O)CC(NC(N)=O)c2ccccc2)cc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 3-(carbamoylamino)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-phenylpropanamide?
The InChIKey is YXQWDOBVWNAHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O5S/c1-33-21-12-9-17(13-20(21)28-34(31,32)18-10-7-16(24)8-11-18)26-22(29)14-19(27-23(25)30)15-5-3-2-4-6-15/h2-13,19,28H,14H2,1H3,(H,26,29)(H3,25,27,30).
What are the key properties of 3-(carbamoylamino)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-phenylpropanamide?
3-(carbamoylamino)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-phenylpropanamide has a molecular weight of 486.53 g/mol, XLogP of 3.37, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-phenylpropanamide is sourced from PubChem (CID 24637286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).