N-[cyclopentyl(thiophen-2-yl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide

C19H21F2NO3S — CID 46452344

IUPACN-[cyclopentyl(thiophen-2-yl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC(c2cccs2)C2CCCC2)ccc1OC(F)F
InChIInChI=1S/C19H21F2NO3S/c1-24-15-11-13(8-9-14(15)25-19(20)21)18(23)22-17(12-5-2-3-6-12)16-7-4-10-26-16/h4,7-12,17,19H,2-3,5-6H2,1H3,(H,22,23)
InChIKeyBNUBGCKTPITROG-UHFFFAOYSA-N
MW381.44 g/mol
LogP5.02
Rot. Bonds7

About N-[cyclopentyl(thiophen-2-yl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide

N-[cyclopentyl(thiophen-2-yl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide (PubChem CID 46452344) has the molecular formula C19H21F2NO3S and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[cyclopentyl(thiophen-2-yl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide.

Molecular Properties

Compound NameN-[cyclopentyl(thiophen-2-yl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide
PubChem CID46452344
Molecular FormulaC19H21F2NO3S
Molecular Weight381.44 g/mol
Exact Mass381.12
IUPAC NameN-[cyclopentyl(thiophen-2-yl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC(c2cccs2)C2CCCC2)ccc1OC(F)F
InChIInChI=1S/C19H21F2NO3S/c1-24-15-11-13(8-9-14(15)25-19(20)21)18(23)22-17(12-5-2-3-6-12)16-7-4-10-26-16/h4,7-12,17,19H,2-3,5-6H2,1H3,(H,22,23)
InChIKeyBNUBGCKTPITROG-UHFFFAOYSA-N
XLogP5.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.44
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethoxy)-3-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 43006504
3-(difluoromethoxy)-4-methoxy-N-(3-methyl-1-thiophen-2-ylbutyl)benzamide
CID 55921720
N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-methylpyridine-3-carboxamide
CID 39029656
N-[cyclopentyl(thiophen-2-yl)methyl]-3-iodobenzamide
CID 63524576
N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 39613359
N-[2-(cycloheptylamino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9217777
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide
CID 39032304
4-(carbamoylamino)-N-[(S)-cyclopentyl(thiophen-2-yl)methyl]benzamide
CID 51943755
4-(difluoromethoxy)-3-methoxy-N-phenylbenzamide
CID 2171846
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 39612382
N-[(1S)-1-(2-bromophenyl)ethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9220094
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 124528243

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide?
The IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide (CID 46452344) is N-[cyclopentyl(thiophen-2-yl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide.
What is the SMILES notation for N-[cyclopentyl(thiophen-2-yl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide?
The canonical SMILES for N-[cyclopentyl(thiophen-2-yl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide is COc1cc(C(=O)NC(c2cccs2)C2CCCC2)ccc1OC(F)F.
What is the InChIKey of N-[cyclopentyl(thiophen-2-yl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide?
The InChIKey is BNUBGCKTPITROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO3S/c1-24-15-11-13(8-9-14(15)25-19(20)21)18(23)22-17(12-5-2-3-6-12)16-7-4-10-26-16/h4,7-12,17,19H,2-3,5-6H2,1H3,(H,22,23).
What are the key properties of N-[cyclopentyl(thiophen-2-yl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide?
N-[cyclopentyl(thiophen-2-yl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide has a molecular weight of 381.44 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl(thiophen-2-yl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide is sourced from PubChem (CID 46452344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).