N-[3-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylphenyl]propanamide

C16H19ClN2OS — CID 43677288

IUPACN-[3-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NC(C)c2ccc(Cl)s2)c1
InChIInChI=1S/C16H19ClN2OS/c1-4-16(20)19-12-6-5-10(2)13(9-12)18-11(3)14-7-8-15(17)21-14/h5-9,11,18H,4H2,1-3H3,(H,19,20)
InChIKeyMZOLDLQCMRDRTR-UHFFFAOYSA-N
MW322.86 g/mol
LogP5.23
Rot. Bonds5

About N-[3-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylphenyl]propanamide

N-[3-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylphenyl]propanamide (PubChem CID 43677288) has the molecular formula C16H19ClN2OS and a molecular weight of 322.86 g/mol. Its IUPAC name is N-[3-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[3-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylphenyl]propanamide
PubChem CID43677288
Molecular FormulaC16H19ClN2OS
Molecular Weight322.86 g/mol
Exact Mass322.09
IUPAC NameN-[3-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NC(C)c2ccc(Cl)s2)c1
InChIInChI=1S/C16H19ClN2OS/c1-4-16(20)19-12-6-5-10(2)13(9-12)18-11(3)14-7-8-15(17)21-14/h5-9,11,18H,4H2,1-3H3,(H,19,20)
InChIKeyMZOLDLQCMRDRTR-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-[4-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]propanamide
CID 43677299
N-[4-methyl-3-(1-phenylethylamino)phenyl]propanamide
CID 43677310
N-[4-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]propanamide
CID 43677311
N-[3-[1-(5-bromothiophen-2-yl)ethylamino]-4-methylphenyl]acetamide
CID 61000928
N-[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylphenyl]propanamide
CID 47062969
N-(4-chlorophenyl)-2-[1-(5-chlorothiophen-2-yl)ethylamino]acetamide
CID 61469757
N-[4-methyl-3-(3-methylbutylamino)phenyl]propanamide
CID 43677281
2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 43700724
N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide
CID 63680059
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[4-(dimethylamino)-3-methylphenyl]urea
CID 78877832
N-[3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-4-methylphenyl]propanamide
CID 102831933
(2S)-2-amino-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 79025428

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylphenyl]propanamide?
The IUPAC name of N-[3-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylphenyl]propanamide (CID 43677288) is N-[3-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylphenyl]propanamide.
What is the SMILES notation for N-[3-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylphenyl]propanamide?
The canonical SMILES for N-[3-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylphenyl]propanamide is CCC(=O)Nc1ccc(C)c(NC(C)c2ccc(Cl)s2)c1.
What is the InChIKey of N-[3-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylphenyl]propanamide?
The InChIKey is MZOLDLQCMRDRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2OS/c1-4-16(20)19-12-6-5-10(2)13(9-12)18-11(3)14-7-8-15(17)21-14/h5-9,11,18H,4H2,1-3H3,(H,19,20).
What are the key properties of N-[3-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylphenyl]propanamide?
N-[3-[1-(5-chlorothiophen-2-yl)ethylamino]-4-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-2-yl)ethylamino]-4-methylphenyl]propanamide is sourced from PubChem (CID 43677288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).