N-(1-chloro-3-phenylpropan-2-yl)-5-ethylthiophene-2-carboxamide

C16H18ClNOS — CID 114300346

IUPACN-(1-chloro-3-phenylpropan-2-yl)-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NC(CCl)Cc2ccccc2)s1
InChIInChI=1S/C16H18ClNOS/c1-2-14-8-9-15(20-14)16(19)18-13(11-17)10-12-6-4-3-5-7-12/h3-9,13H,2,10-11H2,1H3,(H,18,19)
InChIKeyOIDHOULEVYHMQV-UHFFFAOYSA-N
MW307.85 g/mol
LogP3.89
Rot. Bonds6

About N-(1-chloro-3-phenylpropan-2-yl)-5-ethylthiophene-2-carboxamide

N-(1-chloro-3-phenylpropan-2-yl)-5-ethylthiophene-2-carboxamide (PubChem CID 114300346) has the molecular formula C16H18ClNOS and a molecular weight of 307.85 g/mol. Its IUPAC name is N-(1-chloro-3-phenylpropan-2-yl)-5-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-chloro-3-phenylpropan-2-yl)-5-ethylthiophene-2-carboxamide
PubChem CID114300346
Molecular FormulaC16H18ClNOS
Molecular Weight307.85 g/mol
Exact Mass307.08
IUPAC NameN-(1-chloro-3-phenylpropan-2-yl)-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NC(CCl)Cc2ccccc2)s1
InChIInChI=1S/C16H18ClNOS/c1-2-14-8-9-15(20-14)16(19)18-13(11-17)10-12-6-4-3-5-7-12/h3-9,13H,2,10-11H2,1H3,(H,18,19)
InChIKeyOIDHOULEVYHMQV-UHFFFAOYSA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(1-chloro-3-phenylpropan-2-yl)-5-ethylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-ethylthiophene-2-carboxamide
CID 166180453
N-(1-aminobutan-2-yl)-5-ethylthiophene-2-carboxamide
CID 65193940
N-(1-chloro-3-phenylpropan-2-yl)-1,3-thiazole-5-carboxamide
CID 114031419
5-chloro-N-(1-hydroxy-3-phenylpropan-2-yl)thiophene-2-carboxamide
CID 55169960
3-[(5-ethylthiophene-2-carbonyl)amino]-3-phenylpropanoic acid
CID 43351346
5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 95040081
N-(1-chloro-3-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide
CID 113272358
N-(1-chloro-4,4-dimethylpentan-3-yl)-5-ethylthiophene-2-carboxamide
CID 106355739
3-bromo-N-(1-chloro-3-phenylpropan-2-yl)benzamide
CID 114300382
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-chloro-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 101012552
3-bromo-N-(1-chloro-3-phenylpropan-2-yl)thiophene-2-carboxamide
CID 114300348
2-(2-benzyl-3-chloropropyl)-5-ethylthiophene
CID 66036527

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-phenylpropan-2-yl)-5-ethylthiophene-2-carboxamide?
The IUPAC name of N-(1-chloro-3-phenylpropan-2-yl)-5-ethylthiophene-2-carboxamide (CID 114300346) is N-(1-chloro-3-phenylpropan-2-yl)-5-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(1-chloro-3-phenylpropan-2-yl)-5-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(1-chloro-3-phenylpropan-2-yl)-5-ethylthiophene-2-carboxamide is CCc1ccc(C(=O)NC(CCl)Cc2ccccc2)s1.
What is the InChIKey of N-(1-chloro-3-phenylpropan-2-yl)-5-ethylthiophene-2-carboxamide?
The InChIKey is OIDHOULEVYHMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNOS/c1-2-14-8-9-15(20-14)16(19)18-13(11-17)10-12-6-4-3-5-7-12/h3-9,13H,2,10-11H2,1H3,(H,18,19).
What are the key properties of N-(1-chloro-3-phenylpropan-2-yl)-5-ethylthiophene-2-carboxamide?
N-(1-chloro-3-phenylpropan-2-yl)-5-ethylthiophene-2-carboxamide has a molecular weight of 307.85 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-phenylpropan-2-yl)-5-ethylthiophene-2-carboxamide is sourced from PubChem (CID 114300346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).