2-chloro-N-cyclopropyl-2-phenyl-N-(thiophen-3-ylmethyl)acetamide

C16H16ClNOS — CID 61167971

IUPAC2-chloro-N-cyclopropyl-2-phenyl-N-(thiophen-3-ylmethyl)acetamide
SMILESO=C(C(Cl)c1ccccc1)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C16H16ClNOS/c17-15(13-4-2-1-3-5-13)16(19)18(14-6-7-14)10-12-8-9-20-11-12/h1-5,8-9,11,14-15H,6-7,10H2
InChIKeyGIPRVBDZTJZHDH-UHFFFAOYSA-N
MW305.83 g/mol
LogP4.22
Rot. Bonds5

About 2-chloro-N-cyclopropyl-2-phenyl-N-(thiophen-3-ylmethyl)acetamide

2-chloro-N-cyclopropyl-2-phenyl-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 61167971) has the molecular formula C16H16ClNOS and a molecular weight of 305.83 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-2-phenyl-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-2-phenyl-N-(thiophen-3-ylmethyl)acetamide
PubChem CID61167971
Molecular FormulaC16H16ClNOS
Molecular Weight305.83 g/mol
Exact Mass305.06
IUPAC Name2-chloro-N-cyclopropyl-2-phenyl-N-(thiophen-3-ylmethyl)acetamide
SMILESO=C(C(Cl)c1ccccc1)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C16H16ClNOS/c17-15(13-4-2-1-3-5-13)16(19)18(14-6-7-14)10-12-8-9-20-11-12/h1-5,8-9,11,14-15H,6-7,10H2
InChIKeyGIPRVBDZTJZHDH-UHFFFAOYSA-N
XLogP4.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-cyclopropyl-2-phenyl-N-(thiophen-3-ylmethyl)acetamide
CID 61168373
(2S)-2-amino-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide
CID 61168167
N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
CID 79887165
2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
CID 61166609
2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-2-phenylacetamide
CID 43578971
2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)benzamide
CID 55138412
2-chloro-N-[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]propanamide
CID 61439057
N-cyclopropyl-2,2,2-trifluoro-N-(thiophen-3-ylmethyl)acetamide
CID 62728427
N-butyl-2-chloro-N-cyclopropyl-2-phenylacetamide
CID 60950057
(2S)-2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid
CID 78971232
6-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide
CID 113346712
(1R,5S)-N-cyclopropyl-N-(thiophen-3-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 95788460

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-2-phenyl-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of 2-chloro-N-cyclopropyl-2-phenyl-N-(thiophen-3-ylmethyl)acetamide (CID 61167971) is 2-chloro-N-cyclopropyl-2-phenyl-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-2-phenyl-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-2-phenyl-N-(thiophen-3-ylmethyl)acetamide is O=C(C(Cl)c1ccccc1)N(Cc1ccsc1)C1CC1.
What is the InChIKey of 2-chloro-N-cyclopropyl-2-phenyl-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is GIPRVBDZTJZHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNOS/c17-15(13-4-2-1-3-5-13)16(19)18(14-6-7-14)10-12-8-9-20-11-12/h1-5,8-9,11,14-15H,6-7,10H2.
What are the key properties of 2-chloro-N-cyclopropyl-2-phenyl-N-(thiophen-3-ylmethyl)acetamide?
2-chloro-N-cyclopropyl-2-phenyl-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 305.83 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-2-phenyl-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 61167971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).