N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylthiophene-2-carboxamide

C21H24N2O4S — CID 1433190

IUPACN-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N(CC(=O)NC2CCCC2)c2ccc3c(c2)OCCO3)s1
InChIInChI=1S/C21H24N2O4S/c1-14-6-9-19(28-14)21(25)23(13-20(24)22-15-4-2-3-5-15)16-7-8-17-18(12-16)27-11-10-26-17/h6-9,12,15H,2-5,10-11,13H2,1H3,(H,22,24)
InChIKeyNAVBITXSMGLGDY-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.53
Rot. Bonds5

About N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylthiophene-2-carboxamide

N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylthiophene-2-carboxamide (PubChem CID 1433190) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylthiophene-2-carboxamide
PubChem CID1433190
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N(CC(=O)NC2CCCC2)c2ccc3c(c2)OCCO3)s1
InChIInChI=1S/C21H24N2O4S/c1-14-6-9-19(28-14)21(25)23(13-20(24)22-15-4-2-3-5-15)16-7-8-17-18(12-16)27-11-10-26-17/h6-9,12,15H,2-5,10-11,13H2,1H3,(H,22,24)
InChIKeyNAVBITXSMGLGDY-UHFFFAOYSA-N
XLogP3.53
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methoxy-2-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 6471687
(2S)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 16247900
N-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)thiophene-2-carboxamide
CID 2810390
Propynoic acid (cyclopentylcarbamoyl-thiophen-2-yl-methyl)-(3,4-dimethoxy-phenyl)-amide
CID 3216692
Furan-2-carboxylic acid (cyclopentylcarbamoyl-thiophen-2-yl-methyl)-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-amide
CID 644807
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide
CID 1244355
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 2440523
1-(4-Ethoxyphenyl)-3-[[1-(thiophene-2-carbonyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione
CID 2997067
Furan-2-carboxylic acid (cyclohexylcarbamoyl-thiophen-2-yl-methyl)-(3,4-dimethoxy-phenyl)-amide
CID 3191417
Furan-2-carboxylic acid (cyclopentylcarbamoyl-thiophen-2-yl-methyl)-(3,4-dimethoxy-phenyl)-amide
CID 3196617
N-Cyclopentyl-2-[(2,3-dihydro-benzo[1,4]dioxin-6-yl)-(2-thiophen-2-yl-acetyl)-amino]-2-(4-fluoro-phenyl)-acetamide
CID 3202779
Thiophene-2-carboxylic acid {[cyclohexylcarbamoylmethyl-(4-ethoxy-phenyl)-carbamoyl]-methyl}-amide
CID 3211293

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylthiophene-2-carboxamide (CID 1433190) is N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)N(CC(=O)NC2CCCC2)c2ccc3c(c2)OCCO3)s1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylthiophene-2-carboxamide?
The InChIKey is NAVBITXSMGLGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-14-6-9-19(28-14)21(25)23(13-20(24)22-15-4-2-3-5-15)16-7-8-17-18(12-16)27-11-10-26-17/h6-9,12,15H,2-5,10-11,13H2,1H3,(H,22,24).
What are the key properties of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylthiophene-2-carboxamide?
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylthiophene-2-carboxamide has a molecular weight of 400.50 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 1433190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).