N-[3-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]thiophene-2-carboxamide

C20H19N3O4S3 — CID 18906175

IUPACN-[3-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]thiophene-2-carboxamide
SMILESCC(Sc1cccc(NC(=O)c2cccs2)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H19N3O4S3/c1-13(19(24)22-14-7-9-17(10-8-14)30(21,26)27)29-16-5-2-4-15(12-16)23-20(25)18-6-3-11-28-18/h2-13H,1H3,(H,22,24)(H,23,25)(H2,21,26,27)
InChIKeyVTUKOADPUSSSIS-UHFFFAOYSA-N
MW461.59 g/mol
LogP3.77
Rot. Bonds7

About N-[3-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]thiophene-2-carboxamide

N-[3-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]thiophene-2-carboxamide (PubChem CID 18906175) has the molecular formula C20H19N3O4S3 and a molecular weight of 461.59 g/mol. Its IUPAC name is N-[3-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]thiophene-2-carboxamide
PubChem CID18906175
Molecular FormulaC20H19N3O4S3
Molecular Weight461.59 g/mol
Exact Mass461.05
IUPAC NameN-[3-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]thiophene-2-carboxamide
SMILESCC(Sc1cccc(NC(=O)c2cccs2)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H19N3O4S3/c1-13(19(24)22-14-7-9-17(10-8-14)30(21,26)27)29-16-5-2-4-15(12-16)23-20(25)18-6-3-11-28-18/h2-13H,1H3,(H,22,24)(H,23,25)(H2,21,26,27)
InChIKeyVTUKOADPUSSSIS-UHFFFAOYSA-N
XLogP3.77
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 19316312
N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide
CID 18906184
N-[3-[2-oxo-1-phenyl-2-(4-propan-2-ylanilino)ethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 18906360
N-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide
CID 18906129
N-[3-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide
CID 19298748
N-(3-sulfamoylphenyl)thiophene-2-carboxamide
CID 2812289
N-[4-[1-(4-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide
CID 22776740
N-[3-[1-(2-methyl-4-nitroanilino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide
CID 18906162
N-[3-[2-(4-carbamoylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 18906394
6-[[3-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 18896179
N-[3-[2-(4-iodoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 18906376
N-[(E)-3-oxo-3-[3-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylanilino]-1-(4-propan-2-ylphenyl)prop-1-en-2-yl]benzamide
CID 19311128

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]thiophene-2-carboxamide (CID 18906175) is N-[3-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]thiophene-2-carboxamide is CC(Sc1cccc(NC(=O)c2cccs2)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-[3-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]thiophene-2-carboxamide?
The InChIKey is VTUKOADPUSSSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S3/c1-13(19(24)22-14-7-9-17(10-8-14)30(21,26)27)29-16-5-2-4-15(12-16)23-20(25)18-6-3-11-28-18/h2-13H,1H3,(H,22,24)(H,23,25)(H2,21,26,27).
What are the key properties of N-[3-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]thiophene-2-carboxamide?
N-[3-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]thiophene-2-carboxamide has a molecular weight of 461.59 g/mol, XLogP of 3.77, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 18906175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).