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

C20H25FN4O5S — CID 3525774

IUPAC2-(carbamoylamino)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-methylpentanamide
SMILESCOc1ccc(NC(=O)C(CC(C)C)NC(N)=O)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H25FN4O5S/c1-12(2)10-17(24-20(22)27)19(26)23-14-6-9-18(30-3)16(11-14)25-31(28,29)15-7-4-13(21)5-8-15/h4-9,11-12,17,25H,10H2,1-3H3,(H,23,26)(H3,22,24,27)
InChIKeyDQBMNLRLYIWKPK-UHFFFAOYSA-N
MW452.51 g/mol
LogP2.66
Rot. Bonds9

About 2-(carbamoylamino)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-methylpentanamide

2-(carbamoylamino)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-methylpentanamide (PubChem CID 3525774) has the molecular formula C20H25FN4O5S and a molecular weight of 452.51 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-methylpentanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-methylpentanamide
PubChem CID3525774
Molecular FormulaC20H25FN4O5S
Molecular Weight452.51 g/mol
Exact Mass452.15
IUPAC Name2-(carbamoylamino)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-methylpentanamide
SMILESCOc1ccc(NC(=O)C(CC(C)C)NC(N)=O)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H25FN4O5S/c1-12(2)10-17(24-20(22)27)19(26)23-14-6-9-18(30-3)16(11-14)25-31(28,29)15-7-4-13(21)5-8-15/h4-9,11-12,17,25H,10H2,1-3H3,(H,23,26)(H3,22,24,27)
InChIKeyDQBMNLRLYIWKPK-UHFFFAOYSA-N
XLogP2.66
TPSA139.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 52.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbutanamide
CID 30291890
3-(carbamoylamino)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-phenylpropanamide
CID 24637286
2-(4-fluorophenyl)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 34091807
(2S)-2-(carbamoylamino)-4-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 9219440
4-fluoro-N-[2-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-2-oxoethyl]benzamide
CID 37041042
4-fluoro-N-[5-(methanesulfonamido)-2-methoxyphenyl]benzenesulfonamide
CID 8903058
5-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbenzamide
CID 34092220
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-phenoxyacetamide
CID 2451011
4-ethoxy-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methoxybenzamide
CID 31307715
N-(5-acetyl-2-methoxyphenyl)-4-fluorobenzenesulfonamide
CID 82156500
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

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-methylpentanamide?
The IUPAC name of 2-(carbamoylamino)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-methylpentanamide (CID 3525774) is 2-(carbamoylamino)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-methylpentanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-methylpentanamide?
The canonical SMILES for 2-(carbamoylamino)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-methylpentanamide is COc1ccc(NC(=O)C(CC(C)C)NC(N)=O)cc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(carbamoylamino)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-methylpentanamide?
The InChIKey is DQBMNLRLYIWKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O5S/c1-12(2)10-17(24-20(22)27)19(26)23-14-6-9-18(30-3)16(11-14)25-31(28,29)15-7-4-13(21)5-8-15/h4-9,11-12,17,25H,10H2,1-3H3,(H,23,26)(H3,22,24,27).
What are the key properties of 2-(carbamoylamino)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-methylpentanamide?
2-(carbamoylamino)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-methylpentanamide has a molecular weight of 452.51 g/mol, XLogP of 2.66, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-methylpentanamide is sourced from PubChem (CID 3525774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).