N-butan-2-yl-1-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)cyclopropane-1-carboxamide

C19H22FNOS — CID 50975139

IUPACN-butan-2-yl-1-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)cyclopropane-1-carboxamide
SMILESCCC(C)N(Cc1ccsc1)C(=O)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H22FNOS/c1-3-14(2)21(12-15-8-11-23-13-15)18(22)19(9-10-19)16-4-6-17(20)7-5-16/h4-8,11,13-14H,3,9-10,12H2,1-2H3
InChIKeyPKCIUPJPXBISQU-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.75
Rot. Bonds6

About N-butan-2-yl-1-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)cyclopropane-1-carboxamide

N-butan-2-yl-1-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 50975139) has the molecular formula C19H22FNOS and a molecular weight of 331.46 g/mol. Its IUPAC name is N-butan-2-yl-1-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)cyclopropane-1-carboxamide
PubChem CID50975139
Molecular FormulaC19H22FNOS
Molecular Weight331.46 g/mol
Exact Mass331.14
IUPAC NameN-butan-2-yl-1-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)cyclopropane-1-carboxamide
SMILESCCC(C)N(Cc1ccsc1)C(=O)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H22FNOS/c1-3-14(2)21(12-15-8-11-23-13-15)18(22)19(9-10-19)16-4-6-17(20)7-5-16/h4-8,11,13-14H,3,9-10,12H2,1-2H3
InChIKeyPKCIUPJPXBISQU-UHFFFAOYSA-N
XLogP4.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-butan-2-yl-1-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)cyclopropane-1-carboxamide (CID 50975139) is N-butan-2-yl-1-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-butan-2-yl-1-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)cyclopropane-1-carboxamide is CCC(C)N(Cc1ccsc1)C(=O)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of N-butan-2-yl-1-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is PKCIUPJPXBISQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNOS/c1-3-14(2)21(12-15-8-11-23-13-15)18(22)19(9-10-19)16-4-6-17(20)7-5-16/h4-8,11,13-14H,3,9-10,12H2,1-2H3.
What are the key properties of N-butan-2-yl-1-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)cyclopropane-1-carboxamide?
N-butan-2-yl-1-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 50975139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).