N-(4-chlorophenyl)-2-[1-(5-chlorothiophen-2-yl)ethylamino]acetamide

C14H14Cl2N2OS — CID 61469757

IUPACN-(4-chlorophenyl)-2-[1-(5-chlorothiophen-2-yl)ethylamino]acetamide
SMILESCC(NCC(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)s1
InChIInChI=1S/C14H14Cl2N2OS/c1-9(12-6-7-13(16)20-12)17-8-14(19)18-11-4-2-10(15)3-5-11/h2-7,9,17H,8H2,1H3,(H,18,19)
InChIKeyXRJKQWKXXZCMCM-UHFFFAOYSA-N
MW329.25 g/mol
LogP4.34
Rot. Bonds5

About N-(4-chlorophenyl)-2-[1-(5-chlorothiophen-2-yl)ethylamino]acetamide

N-(4-chlorophenyl)-2-[1-(5-chlorothiophen-2-yl)ethylamino]acetamide (PubChem CID 61469757) has the molecular formula C14H14Cl2N2OS and a molecular weight of 329.25 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[1-(5-chlorothiophen-2-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[1-(5-chlorothiophen-2-yl)ethylamino]acetamide
PubChem CID61469757
Molecular FormulaC14H14Cl2N2OS
Molecular Weight329.25 g/mol
Exact Mass328.02
IUPAC NameN-(4-chlorophenyl)-2-[1-(5-chlorothiophen-2-yl)ethylamino]acetamide
SMILESCC(NCC(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)s1
InChIInChI=1S/C14H14Cl2N2OS/c1-9(12-6-7-13(16)20-12)17-8-14(19)18-11-4-2-10(15)3-5-11/h2-7,9,17H,8H2,1H3,(H,18,19)
InChIKeyXRJKQWKXXZCMCM-UHFFFAOYSA-N
XLogP4.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.25
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336008
methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]acetate
CID 43438917
N-(4-chlorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide
CID 81410060
2-(butan-2-ylamino)-N-(4-chlorophenyl)acetamide
CID 43179385
N-(4-acetylphenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336102
2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(4-chlorophenyl)acetamide
CID 81378696
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 9335614
2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(3-methoxypropyl)acetamide
CID 54956748
N-[3-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylphenyl]propanamide
CID 43677288
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 9335587
1-(azepan-1-yl)-2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanone
CID 54938054
2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-ethylpropanamide
CID 60696183

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[1-(5-chlorothiophen-2-yl)ethylamino]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[1-(5-chlorothiophen-2-yl)ethylamino]acetamide (CID 61469757) is N-(4-chlorophenyl)-2-[1-(5-chlorothiophen-2-yl)ethylamino]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[1-(5-chlorothiophen-2-yl)ethylamino]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[1-(5-chlorothiophen-2-yl)ethylamino]acetamide is CC(NCC(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)s1.
What is the InChIKey of N-(4-chlorophenyl)-2-[1-(5-chlorothiophen-2-yl)ethylamino]acetamide?
The InChIKey is XRJKQWKXXZCMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2OS/c1-9(12-6-7-13(16)20-12)17-8-14(19)18-11-4-2-10(15)3-5-11/h2-7,9,17H,8H2,1H3,(H,18,19).
What are the key properties of N-(4-chlorophenyl)-2-[1-(5-chlorothiophen-2-yl)ethylamino]acetamide?
N-(4-chlorophenyl)-2-[1-(5-chlorothiophen-2-yl)ethylamino]acetamide has a molecular weight of 329.25 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[1-(5-chlorothiophen-2-yl)ethylamino]acetamide is sourced from PubChem (CID 61469757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).