N-(3-chlorophenyl)-2-[(5-ethylthiophen-2-yl)methylamino]acetamide

C15H17ClN2OS — CID 106011028

IUPACN-(3-chlorophenyl)-2-[(5-ethylthiophen-2-yl)methylamino]acetamide
SMILESCCc1ccc(CNCC(=O)Nc2cccc(Cl)c2)s1
InChIInChI=1S/C15H17ClN2OS/c1-2-13-6-7-14(20-13)9-17-10-15(19)18-12-5-3-4-11(16)8-12/h3-8,17H,2,9-10H2,1H3,(H,18,19)
InChIKeyPLGAVMKDWCKMHK-UHFFFAOYSA-N
MW308.83 g/mol
LogP3.69
Rot. Bonds6

About N-(3-chlorophenyl)-2-[(5-ethylthiophen-2-yl)methylamino]acetamide

N-(3-chlorophenyl)-2-[(5-ethylthiophen-2-yl)methylamino]acetamide (PubChem CID 106011028) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[(5-ethylthiophen-2-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[(5-ethylthiophen-2-yl)methylamino]acetamide
PubChem CID106011028
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC NameN-(3-chlorophenyl)-2-[(5-ethylthiophen-2-yl)methylamino]acetamide
SMILESCCc1ccc(CNCC(=O)Nc2cccc(Cl)c2)s1
InChIInChI=1S/C15H17ClN2OS/c1-2-13-6-7-14(20-13)9-17-10-15(19)18-12-5-3-4-11(16)8-12/h3-8,17H,2,9-10H2,1H3,(H,18,19)
InChIKeyPLGAVMKDWCKMHK-UHFFFAOYSA-N
XLogP3.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-2-(hexadecylamino)acetamide
CID 54809142
N-(3-chlorophenyl)-2-(octylamino)acetamide
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N-(3-chlorophenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61168620
2-[(2-bromophenyl)methylamino]-N-(3-chlorophenyl)acetamide
CID 61401955
N-(3-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 28565603
N-(3-chlorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]acetamide
CID 106044881
ethyl 2-(3-chloroanilino)-2-(5-ethylthiophen-2-yl)acetate
CID 62345223
N-(3-chlorophenyl)-2-(5-hydroxypentylamino)acetamide
CID 103820250
N-[4-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835550
N-(3-chlorophenyl)-2-(pent-3-ynylamino)acetamide
CID 116643821
N-(3-chlorophenyl)-2-[3-(dimethylamino)propylamino]acetamide
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CID 107163743

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[(5-ethylthiophen-2-yl)methylamino]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[(5-ethylthiophen-2-yl)methylamino]acetamide (CID 106011028) is N-(3-chlorophenyl)-2-[(5-ethylthiophen-2-yl)methylamino]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[(5-ethylthiophen-2-yl)methylamino]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[(5-ethylthiophen-2-yl)methylamino]acetamide is CCc1ccc(CNCC(=O)Nc2cccc(Cl)c2)s1.
What is the InChIKey of N-(3-chlorophenyl)-2-[(5-ethylthiophen-2-yl)methylamino]acetamide?
The InChIKey is PLGAVMKDWCKMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-2-13-6-7-14(20-13)9-17-10-15(19)18-12-5-3-4-11(16)8-12/h3-8,17H,2,9-10H2,1H3,(H,18,19).
What are the key properties of N-(3-chlorophenyl)-2-[(5-ethylthiophen-2-yl)methylamino]acetamide?
N-(3-chlorophenyl)-2-[(5-ethylthiophen-2-yl)methylamino]acetamide has a molecular weight of 308.83 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[(5-ethylthiophen-2-yl)methylamino]acetamide is sourced from PubChem (CID 106011028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).