N-[4-[(2S)-butan-2-yl]phenyl]thiophene-2-carboxamide

C15H17NOS — CID 668928

IUPACN-[4-[(2S)-butan-2-yl]phenyl]thiophene-2-carboxamide
SMILESCC[C@H](C)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C15H17NOS/c1-3-11(2)12-6-8-13(9-7-12)16-15(17)14-5-4-10-18-14/h4-11H,3H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeySODHRHDNLVKYGS-NSHDSACASA-N
MW259.37 g/mol
LogP4.51
Rot. Bonds4

About N-[4-[(2S)-butan-2-yl]phenyl]thiophene-2-carboxamide

N-[4-[(2S)-butan-2-yl]phenyl]thiophene-2-carboxamide (PubChem CID 668928) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is N-[4-[(2S)-butan-2-yl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2S)-butan-2-yl]phenyl]thiophene-2-carboxamide
PubChem CID668928
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC NameN-[4-[(2S)-butan-2-yl]phenyl]thiophene-2-carboxamide
SMILESCC[C@H](C)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C15H17NOS/c1-3-11(2)12-6-8-13(9-7-12)16-15(17)14-5-4-10-18-14/h4-11H,3H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeySODHRHDNLVKYGS-NSHDSACASA-N
XLogP4.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 4128093
N'-[4-[(2S)-butan-2-yl]phenyl]sulfonylthiophene-2-carbohydrazide
CID 8617065
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 7800136
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
N-[3-[[(2S)-2-methylbutanoyl]amino]phenyl]thiophene-2-carboxamide
CID 7268815
N-[4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 22780919
N-[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 42122098
propan-2-yl 4-(thiophene-2-carbonylamino)benzoate
CID 718334
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 64792647
N-(4-sulfanylphenyl)thiophene-2-carboxamide
CID 27126639
N-[4-(4-propan-2-yloxyanilino)phenyl]thiophene-2-carboxamide
CID 112987822

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-butan-2-yl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[(2S)-butan-2-yl]phenyl]thiophene-2-carboxamide (CID 668928) is N-[4-[(2S)-butan-2-yl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(2S)-butan-2-yl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[(2S)-butan-2-yl]phenyl]thiophene-2-carboxamide is CC[C@H](C)c1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-[(2S)-butan-2-yl]phenyl]thiophene-2-carboxamide?
The InChIKey is SODHRHDNLVKYGS-NSHDSACASA-N. The full InChI is InChI=1S/C15H17NOS/c1-3-11(2)12-6-8-13(9-7-12)16-15(17)14-5-4-10-18-14/h4-11H,3H2,1-2H3,(H,16,17)/t11-/m0/s1.
What are the key properties of N-[4-[(2S)-butan-2-yl]phenyl]thiophene-2-carboxamide?
N-[4-[(2S)-butan-2-yl]phenyl]thiophene-2-carboxamide has a molecular weight of 259.37 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-butan-2-yl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 668928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).