4-[(4-cyanothiophen-2-yl)methylamino]-N-cyclopropylbenzamide

C16H15N3OS — CID 79611124

IUPAC4-[(4-cyanothiophen-2-yl)methylamino]-N-cyclopropylbenzamide
SMILESN#Cc1csc(CNc2ccc(C(=O)NC3CC3)cc2)c1
InChIInChI=1S/C16H15N3OS/c17-8-11-7-15(21-10-11)9-18-13-3-1-12(2-4-13)16(20)19-14-5-6-14/h1-4,7,10,14,18H,5-6,9H2,(H,19,20)
InChIKeyODJJHEGQURQLHK-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.12
Rot. Bonds5

About 4-[(4-cyanothiophen-2-yl)methylamino]-N-cyclopropylbenzamide

4-[(4-cyanothiophen-2-yl)methylamino]-N-cyclopropylbenzamide (PubChem CID 79611124) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-[(4-cyanothiophen-2-yl)methylamino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[(4-cyanothiophen-2-yl)methylamino]-N-cyclopropylbenzamide
PubChem CID79611124
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name4-[(4-cyanothiophen-2-yl)methylamino]-N-cyclopropylbenzamide
SMILESN#Cc1csc(CNc2ccc(C(=O)NC3CC3)cc2)c1
InChIInChI=1S/C16H15N3OS/c17-8-11-7-15(21-10-11)9-18-13-3-1-12(2-4-13)16(20)19-14-5-6-14/h1-4,7,10,14,18H,5-6,9H2,(H,19,20)
InChIKeyODJJHEGQURQLHK-UHFFFAOYSA-N
XLogP3.12
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(4-cyanothiophen-2-yl)methylamino]benzoate
CID 79613906
propan-2-yl 4-[(4-cyanothiophen-2-yl)methylamino]benzoate
CID 79610904
3-[(4-cyanothiophen-2-yl)methylamino]benzoic acid
CID 79614253
4-cyano-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methylthiophene-2-carboxamide
CID 154840868
N-cyclopropyl-4-(thiophen-3-ylmethylamino)benzamide
CID 43687516
5-[[4-(dimethylamino)anilino]methyl]thiophene-3-carbonitrile
CID 79613664
4-[(3-bromothiophen-2-yl)methylamino]-N-cyclopropylbenzamide
CID 115379931
3-[(4-cyanothiophen-2-yl)methylamino]-N-ethyl-4-methylbenzamide
CID 79611702
5-[[4-(pyrrolidin-1-ylmethyl)anilino]methyl]thiophene-3-carbonitrile
CID 79610908
5-[(4-cyanothiophen-2-yl)methylamino]-2-methylbenzenesulfonamide
CID 79606563
5-[[4-(difluoromethylsulfanyl)anilino]methyl]thiophene-3-carbonitrile
CID 79614426
N-[3-[(4-cyanothiophen-2-yl)methylamino]phenyl]furan-3-carboxamide
CID 75385267

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyanothiophen-2-yl)methylamino]-N-cyclopropylbenzamide?
The IUPAC name of 4-[(4-cyanothiophen-2-yl)methylamino]-N-cyclopropylbenzamide (CID 79611124) is 4-[(4-cyanothiophen-2-yl)methylamino]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[(4-cyanothiophen-2-yl)methylamino]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[(4-cyanothiophen-2-yl)methylamino]-N-cyclopropylbenzamide is N#Cc1csc(CNc2ccc(C(=O)NC3CC3)cc2)c1.
What is the InChIKey of 4-[(4-cyanothiophen-2-yl)methylamino]-N-cyclopropylbenzamide?
The InChIKey is ODJJHEGQURQLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c17-8-11-7-15(21-10-11)9-18-13-3-1-12(2-4-13)16(20)19-14-5-6-14/h1-4,7,10,14,18H,5-6,9H2,(H,19,20).
What are the key properties of 4-[(4-cyanothiophen-2-yl)methylamino]-N-cyclopropylbenzamide?
4-[(4-cyanothiophen-2-yl)methylamino]-N-cyclopropylbenzamide has a molecular weight of 297.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyanothiophen-2-yl)methylamino]-N-cyclopropylbenzamide is sourced from PubChem (CID 79611124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).