2-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanoylamino]thiophene-3-carboxamide

C19H19F3N4O2S2 — CID 55422121

IUPAC2-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanoylamino]thiophene-3-carboxamide
SMILESCCCn1c(SC(C)C(=O)Nc2sccc2C(N)=O)nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C19H19F3N4O2S2/c1-3-7-26-14-9-11(19(20,21)22)4-5-13(14)24-18(26)30-10(2)16(28)25-17-12(15(23)27)6-8-29-17/h4-6,8-10H,3,7H2,1-2H3,(H2,23,27)(H,25,28)
InChIKeyNGJKDNQMQZCUQU-UHFFFAOYSA-N
MW456.52 g/mol
LogP4.74
Rot. Bonds7

About 2-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanoylamino]thiophene-3-carboxamide

2-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanoylamino]thiophene-3-carboxamide (PubChem CID 55422121) has the molecular formula C19H19F3N4O2S2 and a molecular weight of 456.52 g/mol. Its IUPAC name is 2-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanoylamino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanoylamino]thiophene-3-carboxamide
PubChem CID55422121
Molecular FormulaC19H19F3N4O2S2
Molecular Weight456.52 g/mol
Exact Mass456.09
IUPAC Name2-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanoylamino]thiophene-3-carboxamide
SMILESCCCn1c(SC(C)C(=O)Nc2sccc2C(N)=O)nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C19H19F3N4O2S2/c1-3-7-26-14-9-11(19(20,21)22)4-5-13(14)24-18(26)30-10(2)16(28)25-17-12(15(23)27)6-8-29-17/h4-6,8-10H,3,7H2,1-2H3,(H2,23,27)(H,25,28)
InChIKeyNGJKDNQMQZCUQU-UHFFFAOYSA-N
XLogP4.74
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 46623360
(2R)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 25330471
2-[[(2R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide
CID 8739840
2-[2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]thiophene-3-carboxamide
CID 46618740
2-[[(2S)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide
CID 8940061
2-[[(2S)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide
CID 8739946
N-(2,5-dimethylpyrazol-3-yl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide
CID 25330174
2-[[(2S)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanoyl]amino]thiophene-3-carboxamide
CID 8726324
2-[2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]thiophene-3-carboxamide
CID 55423029
2-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanoylamino]thiophene-3-carboxamide
CID 46639630
2-[2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanoylamino]thiophene-3-carboxamide
CID 46632147
1-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide
CID 31436504

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanoylamino]thiophene-3-carboxamide?
The IUPAC name of 2-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanoylamino]thiophene-3-carboxamide (CID 55422121) is 2-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanoylamino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanoylamino]thiophene-3-carboxamide?
The canonical SMILES for 2-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanoylamino]thiophene-3-carboxamide is CCCn1c(SC(C)C(=O)Nc2sccc2C(N)=O)nc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 2-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanoylamino]thiophene-3-carboxamide?
The InChIKey is NGJKDNQMQZCUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2S2/c1-3-7-26-14-9-11(19(20,21)22)4-5-13(14)24-18(26)30-10(2)16(28)25-17-12(15(23)27)6-8-29-17/h4-6,8-10H,3,7H2,1-2H3,(H2,23,27)(H,25,28).
What are the key properties of 2-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanoylamino]thiophene-3-carboxamide?
2-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanoylamino]thiophene-3-carboxamide has a molecular weight of 456.52 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanoylamino]thiophene-3-carboxamide is sourced from PubChem (CID 55422121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).