N-[3-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-3-oxopropyl]thiophene-3-carboxamide

C21H20FN3O5S2 — CID 30483676

IUPACN-[3-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCOc1ccc(NC(=O)CCNC(=O)c2ccsc2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H20FN3O5S2/c1-30-19-7-4-16(24-20(26)8-10-23-21(27)14-9-11-31-13-14)12-18(19)25-32(28,29)17-5-2-15(22)3-6-17/h2-7,9,11-13,25H,8,10H2,1H3,(H,23,27)(H,24,26)
InChIKeyNBHMHRIAPUUPNL-UHFFFAOYSA-N
MW477.54 g/mol
LogP3.46
Rot. Bonds9

About N-[3-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-3-oxopropyl]thiophene-3-carboxamide

N-[3-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 30483676) has the molecular formula C21H20FN3O5S2 and a molecular weight of 477.54 g/mol. Its IUPAC name is N-[3-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-3-oxopropyl]thiophene-3-carboxamide
PubChem CID30483676
Molecular FormulaC21H20FN3O5S2
Molecular Weight477.54 g/mol
Exact Mass477.08
IUPAC NameN-[3-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCOc1ccc(NC(=O)CCNC(=O)c2ccsc2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H20FN3O5S2/c1-30-19-7-4-16(24-20(26)8-10-23-21(27)14-9-11-31-13-14)12-18(19)25-32(28,29)17-5-2-15(22)3-6-17/h2-7,9,11-13,25H,8,10H2,1H3,(H,23,27)(H,24,26)
InChIKeyNBHMHRIAPUUPNL-UHFFFAOYSA-N
XLogP3.46
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-[2-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-2-oxoethyl]benzamide
CID 37041042
2-(4-fluorophenyl)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 34091807
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-(4-methylphenyl)propanamide
CID 16580146
4-ethoxy-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methoxybenzamide
CID 31307715
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-phenoxybutanamide
CID 4788551
(2R)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbutanamide
CID 30291890
5-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbenzamide
CID 34092220
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-phenoxyacetamide
CID 2451011
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]pyridine-2-carboxamide
CID 7908354
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)-3-methoxyphenyl]propanamide
CID 55635947
3-ethoxy-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-propoxybenzamide
CID 4850610
N-(5-acetyl-2-methoxyphenyl)-4-fluorobenzenesulfonamide
CID 82156500

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-3-oxopropyl]thiophene-3-carboxamide (CID 30483676) is N-[3-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-3-oxopropyl]thiophene-3-carboxamide is COc1ccc(NC(=O)CCNC(=O)c2ccsc2)cc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[3-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is NBHMHRIAPUUPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O5S2/c1-30-19-7-4-16(24-20(26)8-10-23-21(27)14-9-11-31-13-14)12-18(19)25-32(28,29)17-5-2-15(22)3-6-17/h2-7,9,11-13,25H,8,10H2,1H3,(H,23,27)(H,24,26).
What are the key properties of N-[3-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-3-oxopropyl]thiophene-3-carboxamide?
N-[3-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 477.54 g/mol, XLogP of 3.46, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 30483676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).