N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenylpentanamide

C18H22ClNOS — CID 55361168

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenylpentanamide
SMILESCCCC(C(=O)N(CC)Cc1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C18H22ClNOS/c1-3-8-16(14-9-6-5-7-10-14)18(21)20(4-2)13-15-11-12-17(19)22-15/h5-7,9-12,16H,3-4,8,13H2,1-2H3
InChIKeyHAUBFNCIXVRSHH-UHFFFAOYSA-N
MW335.90 g/mol
LogP5.33
Rot. Bonds7

About N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenylpentanamide

N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenylpentanamide (PubChem CID 55361168) has the molecular formula C18H22ClNOS and a molecular weight of 335.90 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenylpentanamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenylpentanamide
PubChem CID55361168
Molecular FormulaC18H22ClNOS
Molecular Weight335.90 g/mol
Exact Mass335.11
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenylpentanamide
SMILESCCCC(C(=O)N(CC)Cc1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C18H22ClNOS/c1-3-8-16(14-9-6-5-7-10-14)18(21)20(4-2)13-15-11-12-17(19)22-15/h5-7,9-12,16H,3-4,8,13H2,1-2H3
InChIKeyHAUBFNCIXVRSHH-UHFFFAOYSA-N
XLogP5.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.90
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-phenylpropanamide;hydrochloride
CID 119688298
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenoxypropanamide
CID 42891269
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbutanamide
CID 60938073
(2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,3-dimethylbutanamide
CID 61163680
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-4-methylpentanamide
CID 54869465
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-4-methoxybutanamide
CID 62473043
N-[1-[(5-chlorothiophen-2-yl)methyl-ethylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 46527264
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-phenylpentanamide
CID 55383274
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-phenylacetic acid
CID 61441934
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpentanamide;hydrochloride
CID 120559212
2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-phenylacetamide
CID 60937692
N-[1-[(5-chlorothiophen-2-yl)methyl-ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 55361191

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenylpentanamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenylpentanamide (CID 55361168) is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenylpentanamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenylpentanamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenylpentanamide is CCCC(C(=O)N(CC)Cc1ccc(Cl)s1)c1ccccc1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenylpentanamide?
The InChIKey is HAUBFNCIXVRSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNOS/c1-3-8-16(14-9-6-5-7-10-14)18(21)20(4-2)13-15-11-12-17(19)22-15/h5-7,9-12,16H,3-4,8,13H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenylpentanamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenylpentanamide has a molecular weight of 335.90 g/mol, XLogP of 5.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenylpentanamide is sourced from PubChem (CID 55361168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).