N-[3-[[(2S)-2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]amino]-3-oxopropyl]thiophene-2-carboxamide

C19H20F2N4O2S — CID 25388372

IUPACN-[3-[[(2S)-2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]amino]-3-oxopropyl]thiophene-2-carboxamide
SMILESC[C@@H](CNC(=O)CCNC(=O)c1cccs1)c1nc2ccccc2n1C(F)F
InChIInChI=1S/C19H20F2N4O2S/c1-12(17-24-13-5-2-3-6-14(13)25(17)19(20)21)11-23-16(26)8-9-22-18(27)15-7-4-10-28-15/h2-7,10,12,19H,8-9,11H2,1H3,(H,22,27)(H,23,26)/t12-/m0/s1
InChIKeySWIKJVLEMDXXSC-LBPRGKRZSA-N
MW406.46 g/mol
LogP3.53
Rot. Bonds8

About N-[3-[[(2S)-2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]amino]-3-oxopropyl]thiophene-2-carboxamide

N-[3-[[(2S)-2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]amino]-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 25388372) has the molecular formula C19H20F2N4O2S and a molecular weight of 406.46 g/mol. Its IUPAC name is N-[3-[[(2S)-2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]amino]-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[(2S)-2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]amino]-3-oxopropyl]thiophene-2-carboxamide
PubChem CID25388372
Molecular FormulaC19H20F2N4O2S
Molecular Weight406.46 g/mol
Exact Mass406.13
IUPAC NameN-[3-[[(2S)-2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]amino]-3-oxopropyl]thiophene-2-carboxamide
SMILESC[C@@H](CNC(=O)CCNC(=O)c1cccs1)c1nc2ccccc2n1C(F)F
InChIInChI=1S/C19H20F2N4O2S/c1-12(17-24-13-5-2-3-6-14(13)25(17)19(20)21)11-23-16(26)8-9-22-18(27)15-7-4-10-28-15/h2-7,10,12,19H,8-9,11H2,1H3,(H,22,27)(H,23,26)/t12-/m0/s1
InChIKeySWIKJVLEMDXXSC-LBPRGKRZSA-N
XLogP3.53
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-acetamido-N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 42928516
N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-indol-1-ylpropanamide
CID 18129742
N-[4-cyano-4-(1-methylbenzimidazol-2-yl)-3-oxobutyl]thiophene-2-carboxamide
CID 86981761
N-[2-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975581
N-[(2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-phenylfuran-2-carboxamide
CID 51931515
N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 16982056
N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-4-[2-(methanesulfonamido)ethyl]benzamide
CID 17481526
N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 18116431
N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 42928507
N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-1,3-benzodioxole-5-carboxamide
CID 42928503
N-[(1R)-1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 7007847
N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 7025686

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2S)-2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]amino]-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[[(2S)-2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]amino]-3-oxopropyl]thiophene-2-carboxamide (CID 25388372) is N-[3-[[(2S)-2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]amino]-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[[(2S)-2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]amino]-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[[(2S)-2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]amino]-3-oxopropyl]thiophene-2-carboxamide is C[C@@H](CNC(=O)CCNC(=O)c1cccs1)c1nc2ccccc2n1C(F)F.
What is the InChIKey of N-[3-[[(2S)-2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]amino]-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is SWIKJVLEMDXXSC-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H20F2N4O2S/c1-12(17-24-13-5-2-3-6-14(13)25(17)19(20)21)11-23-16(26)8-9-22-18(27)15-7-4-10-28-15/h2-7,10,12,19H,8-9,11H2,1H3,(H,22,27)(H,23,26)/t12-/m0/s1.
What are the key properties of N-[3-[[(2S)-2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]amino]-3-oxopropyl]thiophene-2-carboxamide?
N-[3-[[(2S)-2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]amino]-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2S)-2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]amino]-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 25388372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).