N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-5-(oxolan-2-yl)thiophene-2-carboxamide

C20H22N2O3S — CID 131889426

IUPACN-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
SMILESO=C(Cc1ccc(NC(=O)c2ccc(C3CCCO3)s2)cc1)NC1CC1
InChIInChI=1S/C20H22N2O3S/c23-19(21-14-7-8-14)12-13-3-5-15(6-4-13)22-20(24)18-10-9-17(26-18)16-2-1-11-25-16/h3-6,9-10,14,16H,1-2,7-8,11-12H2,(H,21,23)(H,22,24)
InChIKeyJHWLOHPSQKRPJD-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.67
Rot. Bonds6

About N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-5-(oxolan-2-yl)thiophene-2-carboxamide

N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-5-(oxolan-2-yl)thiophene-2-carboxamide (PubChem CID 131889426) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-5-(oxolan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
PubChem CID131889426
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
SMILESO=C(Cc1ccc(NC(=O)c2ccc(C3CCCO3)s2)cc1)NC1CC1
InChIInChI=1S/C20H22N2O3S/c23-19(21-14-7-8-14)12-13-3-5-15(6-4-13)22-20(24)18-10-9-17(26-18)16-2-1-11-25-16/h3-6,9-10,14,16H,1-2,7-8,11-12H2,(H,21,23)(H,22,24)
InChIKeyJHWLOHPSQKRPJD-UHFFFAOYSA-N
XLogP3.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]oxolane-2-carboxamide
CID 131950649
N-(2,3-dihydro-1H-inden-2-yl)-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide
CID 97147711
N-[(3,4-difluorophenyl)methyl]-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide
CID 97141233
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 72902804
5-acetyl-N-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 18132739
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 74250771
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 50966435
N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide
CID 97151425
N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide
CID 97151424
5-(oxolan-2-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)thiophene-2-carboxamide
CID 72923589
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2-morpholin-4-ylbenzamide
CID 131939372
N-[2-[[5-[(2S)-oxolan-2-yl]thiophene-2-carbonyl]amino]ethyl]pyridine-3-carboxamide
CID 97141444

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-5-(oxolan-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-5-(oxolan-2-yl)thiophene-2-carboxamide (CID 131889426) is N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-5-(oxolan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-5-(oxolan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-5-(oxolan-2-yl)thiophene-2-carboxamide is O=C(Cc1ccc(NC(=O)c2ccc(C3CCCO3)s2)cc1)NC1CC1.
What is the InChIKey of N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-5-(oxolan-2-yl)thiophene-2-carboxamide?
The InChIKey is JHWLOHPSQKRPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c23-19(21-14-7-8-14)12-13-3-5-15(6-4-13)22-20(24)18-10-9-17(26-18)16-2-1-11-25-16/h3-6,9-10,14,16H,1-2,7-8,11-12H2,(H,21,23)(H,22,24).
What are the key properties of N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-5-(oxolan-2-yl)thiophene-2-carboxamide?
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-5-(oxolan-2-yl)thiophene-2-carboxamide has a molecular weight of 370.47 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-5-(oxolan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 131889426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).