3-(carbamoylamino)-5-[4-(dimethylamino)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide

C19H25N5O2S — CID 67077101

IUPAC3-(carbamoylamino)-5-[4-(dimethylamino)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
SMILESCN(C)c1ccc(-c2cc(NC(N)=O)c(C(=O)N[C@H]3CCCNC3)s2)cc1
InChIInChI=1S/C19H25N5O2S/c1-24(2)14-7-5-12(6-8-14)16-10-15(23-19(20)26)17(27-16)18(25)22-13-4-3-9-21-11-13/h5-8,10,13,21H,3-4,9,11H2,1-2H3,(H,22,25)(H3,20,23,26)/t13-/m0/s1
InChIKeyAJBDTHARZDFLJL-ZDUSSCGKSA-N
MW387.51 g/mol
LogP2.45
Rot. Bonds5

About 3-(carbamoylamino)-5-[4-(dimethylamino)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide

3-(carbamoylamino)-5-[4-(dimethylamino)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide (PubChem CID 67077101) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is 3-(carbamoylamino)-5-[4-(dimethylamino)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(carbamoylamino)-5-[4-(dimethylamino)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
PubChem CID67077101
Molecular FormulaC19H25N5O2S
Molecular Weight387.51 g/mol
Exact Mass387.17
IUPAC Name3-(carbamoylamino)-5-[4-(dimethylamino)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
SMILESCN(C)c1ccc(-c2cc(NC(N)=O)c(C(=O)N[C@H]3CCCNC3)s2)cc1
InChIInChI=1S/C19H25N5O2S/c1-24(2)14-7-5-12(6-8-14)16-10-15(23-19(20)26)17(27-16)18(25)22-13-4-3-9-21-11-13/h5-8,10,13,21H,3-4,9,11H2,1-2H3,(H,22,25)(H3,20,23,26)/t13-/m0/s1
InChIKeyAJBDTHARZDFLJL-ZDUSSCGKSA-N
XLogP2.45
TPSA99.49 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-(carbamoylamino)-5-(3,4-dimethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 67077396
3-(carbamoylamino)-5-(3,4-difluorophenyl)-N-piperidin-3-ylthiophene-2-carboxamide
CID 72830255
5-(1-benzothiophen-2-yl)-3-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 86609952
3-(carbamoylamino)-5-(2,5-dimethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 67077403
5-(4-chlorophenyl)-3-(hydroxycarbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 87260220
4-amino-2-[4-(dimethylamino)anilino]-N-piperidin-3-yl-1,3-thiazole-5-carboxamide
CID 75092259
5-(4-chlorophenyl)-3-[(3,4-dimethoxyphenyl)carbamoylamino]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 67077972
2-(carbamoylamino)-5-(4-fluorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 11349000
4-(dimethylamino)-N-piperidin-3-ylbenzamide
CID 43146815
2-(carbamoylamino)-5-(4-chlorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 11451776
5-(4-chlorophenyl)-3-[(3-fluorophenyl)carbamoylamino]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 67077991
3-methoxy-5-phenyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 119427157

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-5-[4-(dimethylamino)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide?
The IUPAC name of 3-(carbamoylamino)-5-[4-(dimethylamino)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide (CID 67077101) is 3-(carbamoylamino)-5-[4-(dimethylamino)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-(carbamoylamino)-5-[4-(dimethylamino)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-(carbamoylamino)-5-[4-(dimethylamino)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide is CN(C)c1ccc(-c2cc(NC(N)=O)c(C(=O)N[C@H]3CCCNC3)s2)cc1.
What is the InChIKey of 3-(carbamoylamino)-5-[4-(dimethylamino)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide?
The InChIKey is AJBDTHARZDFLJL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H25N5O2S/c1-24(2)14-7-5-12(6-8-14)16-10-15(23-19(20)26)17(27-16)18(25)22-13-4-3-9-21-11-13/h5-8,10,13,21H,3-4,9,11H2,1-2H3,(H,22,25)(H3,20,23,26)/t13-/m0/s1.
What are the key properties of 3-(carbamoylamino)-5-[4-(dimethylamino)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide?
3-(carbamoylamino)-5-[4-(dimethylamino)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 2.45, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-5-[4-(dimethylamino)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 67077101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).