2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]amino]-N-cyclopentylbenzamide

C20H24ClN3O2S — CID 9293907

IUPAC2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]amino]-N-cyclopentylbenzamide
SMILESCN(CC(=O)Nc1ccccc1C(=O)NC1CCCC1)Cc1ccc(Cl)s1
InChIInChI=1S/C20H24ClN3O2S/c1-24(12-15-10-11-18(21)27-15)13-19(25)23-17-9-5-4-8-16(17)20(26)22-14-6-2-3-7-14/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,22,26)(H,23,25)
InChIKeyLIMDEUSNVBLYEL-UHFFFAOYSA-N
MW405.95 g/mol
LogP4.14
Rot. Bonds7

About 2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]amino]-N-cyclopentylbenzamide

2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]amino]-N-cyclopentylbenzamide (PubChem CID 9293907) has the molecular formula C20H24ClN3O2S and a molecular weight of 405.95 g/mol. Its IUPAC name is 2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]amino]-N-cyclopentylbenzamide.

Molecular Properties

Compound Name2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]amino]-N-cyclopentylbenzamide
PubChem CID9293907
Molecular FormulaC20H24ClN3O2S
Molecular Weight405.95 g/mol
Exact Mass405.13
IUPAC Name2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]amino]-N-cyclopentylbenzamide
SMILESCN(CC(=O)Nc1ccccc1C(=O)NC1CCCC1)Cc1ccc(Cl)s1
InChIInChI=1S/C20H24ClN3O2S/c1-24(12-15-10-11-18(21)27-15)13-19(25)23-17-9-5-4-8-16(17)20(26)22-14-6-2-3-7-14/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,22,26)(H,23,25)
InChIKeyLIMDEUSNVBLYEL-UHFFFAOYSA-N
XLogP4.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.95
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-cyclopentylacetamide
CID 8849744
N-cyclopentyl-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 9053688
N-cyclopentyl-2-[[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]benzamide
CID 9050106
N-cyclopentyl-2-[[2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]acetyl]amino]benzamide
CID 9124540
2-[[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]amino]-N-cyclopentylbenzamide
CID 8748179
2-[[2-(2-chloro-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 2929125
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-phenylacetamide
CID 9294194
N-cyclopropyl-2-[[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 40715510
N-cyclopentyl-2-[(2-methylsulfanylacetyl)amino]benzamide
CID 26084225
N-cyclopentyl-2-[[2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetyl]amino]benzamide
CID 86894738
2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 47107220

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]amino]-N-cyclopentylbenzamide?
The IUPAC name of 2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]amino]-N-cyclopentylbenzamide (CID 9293907) is 2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]amino]-N-cyclopentylbenzamide.
What is the SMILES notation for 2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]amino]-N-cyclopentylbenzamide?
The canonical SMILES for 2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]amino]-N-cyclopentylbenzamide is CN(CC(=O)Nc1ccccc1C(=O)NC1CCCC1)Cc1ccc(Cl)s1.
What is the InChIKey of 2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]amino]-N-cyclopentylbenzamide?
The InChIKey is LIMDEUSNVBLYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2S/c1-24(12-15-10-11-18(21)27-15)13-19(25)23-17-9-5-4-8-16(17)20(26)22-14-6-2-3-7-14/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]amino]-N-cyclopentylbenzamide?
2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]amino]-N-cyclopentylbenzamide has a molecular weight of 405.95 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]amino]-N-cyclopentylbenzamide is sourced from PubChem (CID 9293907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).