N-cyclopropyl-3-fluoro-4-methoxy-N-(thiophen-3-ylmethyl)benzamide

C16H16FNO2S — CID 72717904

IUPACN-cyclopropyl-3-fluoro-4-methoxy-N-(thiophen-3-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(Cc2ccsc2)C2CC2)cc1F
InChIInChI=1S/C16H16FNO2S/c1-20-15-5-2-12(8-14(15)17)16(19)18(13-3-4-13)9-11-6-7-21-10-11/h2,5-8,10,13H,3-4,9H2,1H3
InChIKeyYBCWAVDXBAGCPB-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.70
Rot. Bonds5

About N-cyclopropyl-3-fluoro-4-methoxy-N-(thiophen-3-ylmethyl)benzamide

N-cyclopropyl-3-fluoro-4-methoxy-N-(thiophen-3-ylmethyl)benzamide (PubChem CID 72717904) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-4-methoxy-N-(thiophen-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-fluoro-4-methoxy-N-(thiophen-3-ylmethyl)benzamide
PubChem CID72717904
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC NameN-cyclopropyl-3-fluoro-4-methoxy-N-(thiophen-3-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(Cc2ccsc2)C2CC2)cc1F
InChIInChI=1S/C16H16FNO2S/c1-20-15-5-2-12(8-14(15)17)16(19)18(13-3-4-13)9-11-6-7-21-10-11/h2,5-8,10,13H,3-4,9H2,1H3
InChIKeyYBCWAVDXBAGCPB-UHFFFAOYSA-N
XLogP3.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 33081027
N-cyclopentyl-N-ethyl-3-fluoro-4-methoxybenzamide
CID 86926983
N-cyclopropyl-3-iodo-N-(thiophen-3-ylmethyl)benzamide
CID 61400460
N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 72717897
N-cyclopropyl-2-(dimethylamino)-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 51095237
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-methoxy-4-(2-methylpropoxy)benzamide
CID 112816253
2-bromo-N-cyclopropyl-6-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 114559566
3-hydroxy-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 79673638
N-[(3-bromophenyl)methyl]-N-cyclopropyl-3,4-dimethoxybenzamide
CID 55583180
4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methoxybenzamide
CID 29304680
N-cyclopropyl-2-(ethylamino)-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 62174755
N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)benzamide
CID 51055390

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-fluoro-4-methoxy-N-(thiophen-3-ylmethyl)benzamide?
The IUPAC name of N-cyclopropyl-3-fluoro-4-methoxy-N-(thiophen-3-ylmethyl)benzamide (CID 72717904) is N-cyclopropyl-3-fluoro-4-methoxy-N-(thiophen-3-ylmethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-3-fluoro-4-methoxy-N-(thiophen-3-ylmethyl)benzamide?
The canonical SMILES for N-cyclopropyl-3-fluoro-4-methoxy-N-(thiophen-3-ylmethyl)benzamide is COc1ccc(C(=O)N(Cc2ccsc2)C2CC2)cc1F.
What is the InChIKey of N-cyclopropyl-3-fluoro-4-methoxy-N-(thiophen-3-ylmethyl)benzamide?
The InChIKey is YBCWAVDXBAGCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2S/c1-20-15-5-2-12(8-14(15)17)16(19)18(13-3-4-13)9-11-6-7-21-10-11/h2,5-8,10,13H,3-4,9H2,1H3.
What are the key properties of N-cyclopropyl-3-fluoro-4-methoxy-N-(thiophen-3-ylmethyl)benzamide?
N-cyclopropyl-3-fluoro-4-methoxy-N-(thiophen-3-ylmethyl)benzamide has a molecular weight of 305.37 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-fluoro-4-methoxy-N-(thiophen-3-ylmethyl)benzamide is sourced from PubChem (CID 72717904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).