N-[1-[2-(1-benzothiophen-3-yl)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide

C23H26N2O2S — CID 112837070

IUPACN-[1-[2-(1-benzothiophen-3-yl)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCCC(C)C(NC(=O)c1ccccc1)C(=O)NCCc1csc2ccccc12
InChIInChI=1S/C23H26N2O2S/c1-3-16(2)21(25-22(26)17-9-5-4-6-10-17)23(27)24-14-13-18-15-28-20-12-8-7-11-19(18)20/h4-12,15-16,21H,3,13-14H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyKPVILTCAEOIDAQ-UHFFFAOYSA-N
MW394.54 g/mol
LogP4.40
Rot. Bonds8

About N-[1-[2-(1-benzothiophen-3-yl)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide

N-[1-[2-(1-benzothiophen-3-yl)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 112837070) has the molecular formula C23H26N2O2S and a molecular weight of 394.54 g/mol. Its IUPAC name is N-[1-[2-(1-benzothiophen-3-yl)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-(1-benzothiophen-3-yl)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide
PubChem CID112837070
Molecular FormulaC23H26N2O2S
Molecular Weight394.54 g/mol
Exact Mass394.17
IUPAC NameN-[1-[2-(1-benzothiophen-3-yl)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCCC(C)C(NC(=O)c1ccccc1)C(=O)NCCc1csc2ccccc12
InChIInChI=1S/C23H26N2O2S/c1-3-16(2)21(25-22(26)17-9-5-4-6-10-17)23(27)24-14-13-18-15-28-20-12-8-7-11-19(18)20/h4-12,15-16,21H,3,13-14H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyKPVILTCAEOIDAQ-UHFFFAOYSA-N
XLogP4.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[2-(1-benzothiophen-3-yl)ethylcarbamoyl]benzoate
CID 87005569
N-[1-[2-(4-aminophenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119548107
1-benzothiophen-3-ylmethyl 3-benzamidobutanoate
CID 55885353
N-[1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 51143908
N-[1-[[(2S)-1-aminopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 120507870
N-[2-(1-benzothiophen-3-yl)ethyl]-4-(difluoromethoxy)benzamide
CID 112837108
N-[1-[(2-amino-2-phenylethyl)amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 119528058
N-[(2S,3S)-3-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide
CID 9138580
N-[(2S,3S)-1-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 24549048
N-[(2S)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]pentan-2-yl]benzamide
CID 173102117
N-[(2R,3S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]benzamide
CID 41113077
N-[(2R,3R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]benzamide
CID 41113076

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1-benzothiophen-3-yl)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide?
The IUPAC name of N-[1-[2-(1-benzothiophen-3-yl)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide (CID 112837070) is N-[1-[2-(1-benzothiophen-3-yl)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for N-[1-[2-(1-benzothiophen-3-yl)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide?
The canonical SMILES for N-[1-[2-(1-benzothiophen-3-yl)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide is CCC(C)C(NC(=O)c1ccccc1)C(=O)NCCc1csc2ccccc12.
What is the InChIKey of N-[1-[2-(1-benzothiophen-3-yl)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide?
The InChIKey is KPVILTCAEOIDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2S/c1-3-16(2)21(25-22(26)17-9-5-4-6-10-17)23(27)24-14-13-18-15-28-20-12-8-7-11-19(18)20/h4-12,15-16,21H,3,13-14H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of N-[1-[2-(1-benzothiophen-3-yl)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide?
N-[1-[2-(1-benzothiophen-3-yl)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 394.54 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1-benzothiophen-3-yl)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 112837070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).