N-[3-(cyclopropylcarbamoyl)phenyl]-3-methylthiophene-2-carboxamide

C16H16N2O2S — CID 17415846

IUPACN-[3-(cyclopropylcarbamoyl)phenyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C16H16N2O2S/c1-10-7-8-21-14(10)16(20)18-13-4-2-3-11(9-13)15(19)17-12-5-6-12/h2-4,7-9,12H,5-6H2,1H3,(H,17,19)(H,18,20)
InChIKeyNAYOYTJDGVITRO-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.20
Rot. Bonds4

About N-[3-(cyclopropylcarbamoyl)phenyl]-3-methylthiophene-2-carboxamide

N-[3-(cyclopropylcarbamoyl)phenyl]-3-methylthiophene-2-carboxamide (PubChem CID 17415846) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[3-(cyclopropylcarbamoyl)phenyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylcarbamoyl)phenyl]-3-methylthiophene-2-carboxamide
PubChem CID17415846
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-[3-(cyclopropylcarbamoyl)phenyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C16H16N2O2S/c1-10-7-8-21-14(10)16(20)18-13-4-2-3-11(9-13)15(19)17-12-5-6-12/h2-4,7-9,12H,5-6H2,1H3,(H,17,19)(H,18,20)
InChIKeyNAYOYTJDGVITRO-UHFFFAOYSA-N
XLogP3.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(cyclopropylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 16567528
N-(3-bromophenyl)-3-methylthiophene-2-carboxamide
CID 3480316
3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111
methyl 3-[[3-(cyclopropylcarbamoyl)benzoyl]amino]benzoate
CID 109050811
3-[(4-tert-butylbenzoyl)amino]-N-cyclopropylbenzamide
CID 26110808
3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylbenzamide
CID 17415806
3-acetamido-N-(4-hydroxycyclohexyl)benzamide
CID 43389328
3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide
CID 30127139
N-cyclopentyl-3-[(4-methylbenzoyl)amino]benzamide
CID 2221852
1-N-(3-acetylphenyl)-3-N-cyclopentylbenzene-1,3-dicarboxamide
CID 109051927
N-cyclopropyl-3-(cyclopropylamino)benzamide
CID 103438850
1-N-cyclopropyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109043347

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylcarbamoyl)phenyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[3-(cyclopropylcarbamoyl)phenyl]-3-methylthiophene-2-carboxamide (CID 17415846) is N-[3-(cyclopropylcarbamoyl)phenyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylcarbamoyl)phenyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[3-(cyclopropylcarbamoyl)phenyl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of N-[3-(cyclopropylcarbamoyl)phenyl]-3-methylthiophene-2-carboxamide?
The InChIKey is NAYOYTJDGVITRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-10-7-8-21-14(10)16(20)18-13-4-2-3-11(9-13)15(19)17-12-5-6-12/h2-4,7-9,12H,5-6H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[3-(cyclopropylcarbamoyl)phenyl]-3-methylthiophene-2-carboxamide?
N-[3-(cyclopropylcarbamoyl)phenyl]-3-methylthiophene-2-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylcarbamoyl)phenyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 17415846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).