N-(cyclopropylmethyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

C19H22N2O2S — CID 43047282

IUPACN-(cyclopropylmethyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESO=C(NCC1CC1)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C19H22N2O2S/c22-18(20-13-14-6-7-14)17-12-16(15-4-2-1-3-5-15)19(24-17)21-8-10-23-11-9-21/h1-5,12,14H,6-11,13H2,(H,20,22)
InChIKeyKNBFMRIZOCRBGP-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.39
Rot. Bonds5

About N-(cyclopropylmethyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

N-(cyclopropylmethyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (PubChem CID 43047282) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
PubChem CID43047282
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-(cyclopropylmethyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESO=C(NCC1CC1)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C19H22N2O2S/c22-18(20-13-14-6-7-14)17-12-16(15-4-2-1-3-5-15)19(24-17)21-8-10-23-11-9-21/h1-5,12,14H,6-11,13H2,(H,20,22)
InChIKeyKNBFMRIZOCRBGP-UHFFFAOYSA-N
XLogP3.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (CID 43047282) is N-(cyclopropylmethyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is O=C(NCC1CC1)c1cc(-c2ccccc2)c(N2CCOCC2)s1.
What is the InChIKey of N-(cyclopropylmethyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The InChIKey is KNBFMRIZOCRBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c22-18(20-13-14-6-7-14)17-12-16(15-4-2-1-3-5-15)19(24-17)21-8-10-23-11-9-21/h1-5,12,14H,6-11,13H2,(H,20,22).
What are the key properties of N-(cyclopropylmethyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
N-(cyclopropylmethyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide has a molecular weight of 342.46 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is sourced from PubChem (CID 43047282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).