N-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide

C16H17ClN2O2S — CID 26004667

IUPACN-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)N[C@H](C)c2ccccc2Cl)s1
InChIInChI=1S/C16H17ClN2O2S/c1-10-7-8-14(22-10)16(21)18-9-15(20)19-11(2)12-5-3-4-6-13(12)17/h3-8,11H,9H2,1-2H3,(H,18,21)(H,19,20)/t11-/m1/s1
InChIKeyHPMGHAIZTCLLNF-LLVKDONJSA-N
MW336.84 g/mol
LogP3.32
Rot. Bonds5

About N-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide

N-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide (PubChem CID 26004667) has the molecular formula C16H17ClN2O2S and a molecular weight of 336.84 g/mol. Its IUPAC name is N-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
PubChem CID26004667
Molecular FormulaC16H17ClN2O2S
Molecular Weight336.84 g/mol
Exact Mass336.07
IUPAC NameN-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)N[C@H](C)c2ccccc2Cl)s1
InChIInChI=1S/C16H17ClN2O2S/c1-10-7-8-14(22-10)16(21)18-9-15(20)19-11(2)12-5-3-4-6-13(12)17/h3-8,11H,9H2,1-2H3,(H,18,21)(H,19,20)/t11-/m1/s1
InChIKeyHPMGHAIZTCLLNF-LLVKDONJSA-N
XLogP3.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 24543962
N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 79031640
N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 17398961
N-[1-(2-chlorophenyl)ethyl]-2-(methylamino)acetamide
CID 60641198
5-methyl-N-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]thiophene-2-carboxamide
CID 30805020
N-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-2-methoxybenzamide
CID 41176984
N-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18112632
methyl 3-(2-chlorophenyl)-3-[(5-methylthiophene-2-carbonyl)amino]propanoate
CID 51256790
5-methyl-N-[(1R)-1-naphthalen-1-ylethyl]thiophene-2-carboxamide
CID 27753913
N-[1-(2-chlorophenyl)ethyl]-3-methylbutanamide
CID 78773468
2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 81378449
N-[2-[1-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 17395356

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide (CID 26004667) is N-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCC(=O)N[C@H](C)c2ccccc2Cl)s1.
What is the InChIKey of N-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is HPMGHAIZTCLLNF-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17ClN2O2S/c1-10-7-8-14(22-10)16(21)18-9-15(20)19-11(2)12-5-3-4-6-13(12)17/h3-8,11H,9H2,1-2H3,(H,18,21)(H,19,20)/t11-/m1/s1.
What are the key properties of N-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
N-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 336.84 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 26004667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).