N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]thiophene-3-carboxamide

C17H20N2O2S — CID 94197249

IUPACN-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]thiophene-3-carboxamide
SMILESCC[C@@H](C)NC(=O)c1ccc(CNC(=O)c2ccsc2)cc1
InChIInChI=1S/C17H20N2O2S/c1-3-12(2)19-17(21)14-6-4-13(5-7-14)10-18-16(20)15-8-9-22-11-15/h4-9,11-12H,3,10H2,1-2H3,(H,18,20)(H,19,21)/t12-/m1/s1
InChIKeyXFIHBXIYXMOUCS-GFCCVEGCSA-N
MW316.43 g/mol
LogP3.21
Rot. Bonds6

About N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]thiophene-3-carboxamide

N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]thiophene-3-carboxamide (PubChem CID 94197249) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]thiophene-3-carboxamide
PubChem CID94197249
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]thiophene-3-carboxamide
SMILESCC[C@@H](C)NC(=O)c1ccc(CNC(=O)c2ccsc2)cc1
InChIInChI=1S/C17H20N2O2S/c1-3-12(2)19-17(21)14-6-4-13(5-7-14)10-18-16(20)15-8-9-22-11-15/h4-9,11-12H,3,10H2,1-2H3,(H,18,20)(H,19,21)/t12-/m1/s1
InChIKeyXFIHBXIYXMOUCS-GFCCVEGCSA-N
XLogP3.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(4-bromobenzoyl)amino]methyl]-N-butan-2-ylbenzamide
CID 4278402
N-[(4-hydroxyphenyl)methyl]thiophene-3-carboxamide
CID 47148514
N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]thiophene-3-carboxamide
CID 47459937
N-[[4-(ethoxymethyl)phenyl]methyl]thiophene-3-carboxamide
CID 37358196
N-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-5-methylfuran-2-carboxamide
CID 94197302
N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]-2-methylfuran-3-carboxamide
CID 94183070
N-[[4-(chloromethyl)phenyl]methyl]thiophene-3-carboxamide
CID 107233527
N-[[4-(butan-2-ylcarbamoyl)phenyl]methyl]furan-2-carboxamide
CID 47043267
N-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]furan-2-carboxamide
CID 94197370
N-(5-methylhexan-2-yl)thiophene-3-carboxamide
CID 134035797
N-[2-[[4-(methylcarbamoyl)phenyl]methylamino]-2-oxoethyl]thiophene-3-carboxamide
CID 51092014
N-butan-2-yl-4-[[(N'-methyl-N-propylcarbamimidoyl)amino]methyl]benzamide
CID 111225317

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]thiophene-3-carboxamide?
The IUPAC name of N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]thiophene-3-carboxamide (CID 94197249) is N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]thiophene-3-carboxamide is CC[C@@H](C)NC(=O)c1ccc(CNC(=O)c2ccsc2)cc1.
What is the InChIKey of N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]thiophene-3-carboxamide?
The InChIKey is XFIHBXIYXMOUCS-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-3-12(2)19-17(21)14-6-4-13(5-7-14)10-18-16(20)15-8-9-22-11-15/h4-9,11-12H,3,10H2,1-2H3,(H,18,20)(H,19,21)/t12-/m1/s1.
What are the key properties of N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]thiophene-3-carboxamide?
N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]thiophene-3-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 94197249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).