N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylthiophene-2-carboxamide

C24H24N2OS — CID 90214106

IUPACN-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylthiophene-2-carboxamide
SMILESO=C(Nc1ccc([C@@H]2C[C@H]2NCC2CC2)cc1)c1cc(-c2ccccc2)cs1
InChIInChI=1S/C24H24N2OS/c27-24(23-12-19(15-28-23)17-4-2-1-3-5-17)26-20-10-8-18(9-11-20)21-13-22(21)25-14-16-6-7-16/h1-5,8-12,15-16,21-22,25H,6-7,13-14H2,(H,26,27)/t21-,22+/m0/s1
InChIKeyHRMLYGKRVPTPMV-FCHUYYIVSA-N
MW388.54 g/mol
LogP5.52
Rot. Bonds7

About N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylthiophene-2-carboxamide

N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylthiophene-2-carboxamide (PubChem CID 90214106) has the molecular formula C24H24N2OS and a molecular weight of 388.54 g/mol. Its IUPAC name is N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylthiophene-2-carboxamide
PubChem CID90214106
Molecular FormulaC24H24N2OS
Molecular Weight388.54 g/mol
Exact Mass388.16
IUPAC NameN-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylthiophene-2-carboxamide
SMILESO=C(Nc1ccc([C@@H]2C[C@H]2NCC2CC2)cc1)c1cc(-c2ccccc2)cs1
InChIInChI=1S/C24H24N2OS/c27-24(23-12-19(15-28-23)17-4-2-1-3-5-17)26-20-10-8-18(9-11-20)21-13-22(21)25-14-16-6-7-16/h1-5,8-12,15-16,21-22,25H,6-7,13-14H2,(H,26,27)/t21-,22+/m0/s1
InChIKeyHRMLYGKRVPTPMV-FCHUYYIVSA-N
XLogP5.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.54
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(1R,2S)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylbenzamide
CID 90213996
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenyl-1,3-thiazole-2-carboxamide
CID 71260515
4-benzamido-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 86729911
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-pyridin-4-ylbenzamide
CID 90214031
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-pyrimidin-2-ylbenzamide
CID 90214109
N-[4-[(1S,2R)-2-[(1-methylpiperidin-4-yl)methylamino]cyclopropyl]phenyl]benzamide
CID 70810946
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylmethoxybenzamide;hydrochloride
CID 90214183
4-(2-chlorophenyl)-N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide;hydrochloride
CID 90213944
4-tert-butyl-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 90214032
4-tert-butyl-N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 90214029
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-methylbenzamide;hydrochloride
CID 90214407
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1H-indole-3-carboxamide
CID 90214102

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylthiophene-2-carboxamide?
The IUPAC name of N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylthiophene-2-carboxamide (CID 90214106) is N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylthiophene-2-carboxamide is O=C(Nc1ccc([C@@H]2C[C@H]2NCC2CC2)cc1)c1cc(-c2ccccc2)cs1.
What is the InChIKey of N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylthiophene-2-carboxamide?
The InChIKey is HRMLYGKRVPTPMV-FCHUYYIVSA-N. The full InChI is InChI=1S/C24H24N2OS/c27-24(23-12-19(15-28-23)17-4-2-1-3-5-17)26-20-10-8-18(9-11-20)21-13-22(21)25-14-16-6-7-16/h1-5,8-12,15-16,21-22,25H,6-7,13-14H2,(H,26,27)/t21-,22+/m0/s1.
What are the key properties of N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylthiophene-2-carboxamide?
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylthiophene-2-carboxamide has a molecular weight of 388.54 g/mol, XLogP of 5.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylthiophene-2-carboxamide is sourced from PubChem (CID 90214106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).