N-cyclopropyl-4-phenoxy-N-(thiophen-2-ylmethyl)butanamide

C18H21NO2S — CID 134004464

IUPACN-cyclopropyl-4-phenoxy-N-(thiophen-2-ylmethyl)butanamide
SMILESO=C(CCCOc1ccccc1)N(Cc1cccs1)C1CC1
InChIInChI=1S/C18H21NO2S/c20-18(9-4-12-21-16-6-2-1-3-7-16)19(15-10-11-15)14-17-8-5-13-22-17/h1-3,5-8,13,15H,4,9-12,14H2
InChIKeyIZJDKIGDSPYMLT-UHFFFAOYSA-N
MW315.44 g/mol
LogP4.10
Rot. Bonds8

About N-cyclopropyl-4-phenoxy-N-(thiophen-2-ylmethyl)butanamide

N-cyclopropyl-4-phenoxy-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 134004464) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-cyclopropyl-4-phenoxy-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-phenoxy-N-(thiophen-2-ylmethyl)butanamide
PubChem CID134004464
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-cyclopropyl-4-phenoxy-N-(thiophen-2-ylmethyl)butanamide
SMILESO=C(CCCOc1ccccc1)N(Cc1cccs1)C1CC1
InChIInChI=1S/C18H21NO2S/c20-18(9-4-12-21-16-6-2-1-3-7-16)19(15-10-11-15)14-17-8-5-13-22-17/h1-3,5-8,13,15H,4,9-12,14H2
InChIKeyIZJDKIGDSPYMLT-UHFFFAOYSA-N
XLogP4.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-4-phenyl-N-(thiophen-2-ylmethyl)butanamide
CID 157468797
N-cyclopropyl-4-(methylamino)-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119715445
N-cyclopropyl-3-(5-phenyl-1,3-oxazol-2-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 37483995
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-thiophen-2-ylbutanamide
CID 39968065
N-cyclopropyl-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 78852295
4-(5-chlorothiophen-2-yl)-N-cyclopropyl-4-oxo-N-(thiophen-2-ylmethyl)butanamide
CID 55599478
N-methyl-2-phenoxy-N-(thiophen-2-ylmethyl)acetamide
CID 78762396
2-[carboxymethyl-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]acetic acid
CID 63647136
N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-4-phenoxybutanamide
CID 25163550
N-(oxan-4-yl)-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide
CID 90611027
4-[cyclopropyl(thiophen-2-ylmethyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992646
4-[cyclopropyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 61448812

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-phenoxy-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of N-cyclopropyl-4-phenoxy-N-(thiophen-2-ylmethyl)butanamide (CID 134004464) is N-cyclopropyl-4-phenoxy-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for N-cyclopropyl-4-phenoxy-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for N-cyclopropyl-4-phenoxy-N-(thiophen-2-ylmethyl)butanamide is O=C(CCCOc1ccccc1)N(Cc1cccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-4-phenoxy-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is IZJDKIGDSPYMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c20-18(9-4-12-21-16-6-2-1-3-7-16)19(15-10-11-15)14-17-8-5-13-22-17/h1-3,5-8,13,15H,4,9-12,14H2.
What are the key properties of N-cyclopropyl-4-phenoxy-N-(thiophen-2-ylmethyl)butanamide?
N-cyclopropyl-4-phenoxy-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 315.44 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-phenoxy-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 134004464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).