N-[4-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]cyclopropanecarboxamide

C19H21N3O4S2 — CID 22777234

IUPACN-[4-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]cyclopropanecarboxamide
SMILESCC(Sc1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H21N3O4S2/c1-12(18(23)21-15-6-10-17(11-7-15)28(20,25)26)27-16-8-4-14(5-9-16)22-19(24)13-2-3-13/h4-13H,2-3H2,1H3,(H,21,23)(H,22,24)(H2,20,25,26)
InChIKeyLPGHNWMCCLBYCP-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.80
Rot. Bonds7

About N-[4-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]cyclopropanecarboxamide

N-[4-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]cyclopropanecarboxamide (PubChem CID 22777234) has the molecular formula C19H21N3O4S2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[4-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]cyclopropanecarboxamide
PubChem CID22777234
Molecular FormulaC19H21N3O4S2
Molecular Weight419.53 g/mol
Exact Mass419.10
IUPAC NameN-[4-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]cyclopropanecarboxamide
SMILESCC(Sc1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H21N3O4S2/c1-12(18(23)21-15-6-10-17(11-7-15)28(20,25)26)27-16-8-4-14(5-9-16)22-19(24)13-2-3-13/h4-13H,2-3H2,1H3,(H,21,23)(H,22,24)(H2,20,25,26)
InChIKeyLPGHNWMCCLBYCP-UHFFFAOYSA-N
XLogP2.80
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4-fluorophenyl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 2639557
(2R)-2-(3,4-difluorophenyl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 7737171
N-(4-propan-2-ylsulfanylphenyl)cyclopropanecarboxamide
CID 110778678
2-chloro-5-[2-[4-(cyclopropanecarbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid
CID 22777126
4-methoxy-N-[4-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]benzamide
CID 23098487
2,3,4,5-tetrachloro-6-[[4-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22785462
2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 23098069
N-[4-[1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 19630056
5-[2-[4-(cyclohexanecarbonylamino)phenyl]sulfanylpropanoylamino]-2-hydroxybenzoic acid
CID 22781481
6-[[3-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 18896179
N-[4-[1-(2-methyl-5-nitroanilino)-1-oxopropan-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 19630854
(2S)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-sulfamoylphenyl)propanamide
CID 9454357

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]cyclopropanecarboxamide (CID 22777234) is N-[4-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]cyclopropanecarboxamide is CC(Sc1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-[4-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]cyclopropanecarboxamide?
The InChIKey is LPGHNWMCCLBYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S2/c1-12(18(23)21-15-6-10-17(11-7-15)28(20,25)26)27-16-8-4-14(5-9-16)22-19(24)13-2-3-13/h4-13H,2-3H2,1H3,(H,21,23)(H,22,24)(H2,20,25,26).
What are the key properties of N-[4-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]cyclopropanecarboxamide?
N-[4-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]cyclopropanecarboxamide has a molecular weight of 419.53 g/mol, XLogP of 2.80, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 22777234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).