N-[3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylphenyl]propanamide

C16H19ClN2OS — CID 102976770

IUPACN-[3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(C)c2csc(Cl)c2)c1C
InChIInChI=1S/C16H19ClN2OS/c1-4-16(20)19-14-7-5-6-13(10(14)2)18-11(3)12-8-15(17)21-9-12/h5-9,11,18H,4H2,1-3H3,(H,19,20)
InChIKeyCSUBYMYUVAAFPK-UHFFFAOYSA-N
MW322.86 g/mol
LogP5.23
Rot. Bonds5

About N-[3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylphenyl]propanamide

N-[3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylphenyl]propanamide (PubChem CID 102976770) has the molecular formula C16H19ClN2OS and a molecular weight of 322.86 g/mol. Its IUPAC name is N-[3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylphenyl]propanamide
PubChem CID102976770
Molecular FormulaC16H19ClN2OS
Molecular Weight322.86 g/mol
Exact Mass322.09
IUPAC NameN-[3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(C)c2csc(Cl)c2)c1C
InChIInChI=1S/C16H19ClN2OS/c1-4-16(20)19-14-7-5-6-13(10(14)2)18-11(3)12-8-15(17)21-9-12/h5-9,11,18H,4H2,1-3H3,(H,19,20)
InChIKeyCSUBYMYUVAAFPK-UHFFFAOYSA-N
XLogP5.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.86
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]propanamide
CID 64993033
N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylaniline
CID 102976765
N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylsulfanylaniline
CID 102976894
N-[3-(3-methoxybutan-2-ylamino)-2-methylphenyl]propanamide
CID 115916566
2-[1-(5-chlorothiophen-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 102976318
N-[3-(hexan-3-ylamino)-2-methylphenyl]propanamide
CID 103930833
2-(aminomethyl)-N-[2-methyl-3-(propanoylamino)phenyl]butanamide
CID 65229652
N-[3-(hex-5-en-2-ylamino)-2-methylphenyl]propanamide
CID 104583783
N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54814911
N-[3-[[2-(2-chloroanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54810419
N-[2-methyl-3-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]phenyl]propanamide
CID 54844752
2-amino-N-[2-methyl-3-(propanoylamino)phenyl]-1,3-thiazole-4-carboxamide
CID 62788927

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylphenyl]propanamide?
The IUPAC name of N-[3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylphenyl]propanamide (CID 102976770) is N-[3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylphenyl]propanamide.
What is the SMILES notation for N-[3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylphenyl]propanamide?
The canonical SMILES for N-[3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylphenyl]propanamide is CCC(=O)Nc1cccc(NC(C)c2csc(Cl)c2)c1C.
What is the InChIKey of N-[3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylphenyl]propanamide?
The InChIKey is CSUBYMYUVAAFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2OS/c1-4-16(20)19-14-7-5-6-13(10(14)2)18-11(3)12-8-15(17)21-9-12/h5-9,11,18H,4H2,1-3H3,(H,19,20).
What are the key properties of N-[3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylphenyl]propanamide?
N-[3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylphenyl]propanamide has a molecular weight of 322.86 g/mol, XLogP of 5.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylphenyl]propanamide is sourced from PubChem (CID 102976770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).