N-[4-[2-[(2R)-oxolan-2-yl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide

C18H20N2O3S — CID 31400597

IUPACN-[4-[2-[(2R)-oxolan-2-yl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(NCC[C@H]1CCCO1)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C18H20N2O3S/c21-17(19-10-9-15-3-1-11-23-15)13-5-7-14(8-6-13)20-18(22)16-4-2-12-24-16/h2,4-8,12,15H,1,3,9-11H2,(H,19,21)(H,20,22)/t15-/m1/s1
InChIKeyZCMGKLAIFYWMDA-OAHLLOKOSA-N
MW344.44 g/mol
LogP3.30
Rot. Bonds6

About N-[4-[2-[(2R)-oxolan-2-yl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide

N-[4-[2-[(2R)-oxolan-2-yl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 31400597) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[4-[2-[(2R)-oxolan-2-yl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[(2R)-oxolan-2-yl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID31400597
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-[4-[2-[(2R)-oxolan-2-yl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(NCC[C@H]1CCCO1)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C18H20N2O3S/c21-17(19-10-9-15-3-1-11-23-15)13-5-7-14(8-6-13)20-18(22)16-4-2-12-24-16/h2,4-8,12,15H,1,3,9-11H2,(H,19,21)(H,20,22)/t15-/m1/s1
InChIKeyZCMGKLAIFYWMDA-OAHLLOKOSA-N
XLogP3.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(oxan-2-yl)ethyl]thiophene-2-carboxamide
CID 103993193
N-[4-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 26725077
4-hydrazinyl-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 62249331
tert-butyl N-[4-[2-[(2S)-oxolan-2-yl]ethylcarbamoyl]phenyl]carbamate
CID 31400679
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 60782178
N-[2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062754
4-[2-(oxan-2-yl)ethylcarbamoyl]benzoic acid
CID 106704122
2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetic acid
CID 2731835
N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]thiophene-2-carboxamide
CID 41444816
N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 9473547
N-[[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamothioyl]thiophene-2-carboxamide
CID 42579611
3-acetamido-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 110745062

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(2R)-oxolan-2-yl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[2-[(2R)-oxolan-2-yl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide (CID 31400597) is N-[4-[2-[(2R)-oxolan-2-yl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[2-[(2R)-oxolan-2-yl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[2-[(2R)-oxolan-2-yl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide is O=C(NCC[C@H]1CCCO1)c1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-[2-[(2R)-oxolan-2-yl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is ZCMGKLAIFYWMDA-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20N2O3S/c21-17(19-10-9-15-3-1-11-23-15)13-5-7-14(8-6-13)20-18(22)16-4-2-12-24-16/h2,4-8,12,15H,1,3,9-11H2,(H,19,21)(H,20,22)/t15-/m1/s1.
What are the key properties of N-[4-[2-[(2R)-oxolan-2-yl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide?
N-[4-[2-[(2R)-oxolan-2-yl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(2R)-oxolan-2-yl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 31400597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).