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

C19H22N4O3S — CID 44560617

IUPAC5-(4-acetylphenyl)-2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
SMILESCC(=O)c1ccc(-c2cc(C(=O)N[C@H]3CCCNC3)c(NC(N)=O)s2)cc1
InChIInChI=1S/C19H22N4O3S/c1-11(24)12-4-6-13(7-5-12)16-9-15(18(27-16)23-19(20)26)17(25)22-14-3-2-8-21-10-14/h4-7,9,14,21H,2-3,8,10H2,1H3,(H,22,25)(H3,20,23,26)/t14-/m0/s1
InChIKeyLILZBQJGXXRVSP-AWEZNQCLSA-N
MW386.48 g/mol
LogP2.59
Rot. Bonds5

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

5-(4-acetylphenyl)-2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide (PubChem CID 44560617) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 5-(4-acetylphenyl)-2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-(4-acetylphenyl)-2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
PubChem CID44560617
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name5-(4-acetylphenyl)-2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
SMILESCC(=O)c1ccc(-c2cc(C(=O)N[C@H]3CCCNC3)c(NC(N)=O)s2)cc1
InChIInChI=1S/C19H22N4O3S/c1-11(24)12-4-6-13(7-5-12)16-9-15(18(27-16)23-19(20)26)17(25)22-14-3-2-8-21-10-14/h4-7,9,14,21H,2-3,8,10H2,1H3,(H,22,25)(H3,20,23,26)/t14-/m0/s1
InChIKeyLILZBQJGXXRVSP-AWEZNQCLSA-N
XLogP2.59
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

Azd7762
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2-(Carbamoylamino)-5-(4-Chlorophenyl)-N-[(3s)-Piperidin-3-Yl]thiophene-3-Carboxamide
CID 11451776
Lsmotinib
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CID 569946
1-(3-(Methylcarbamoyl)-5-phenylthiophen-2-yl)urea
CID 9878679
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CID 9879057
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CID 10109058

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylphenyl)-2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide?
The IUPAC name of 5-(4-acetylphenyl)-2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide (CID 44560617) is 5-(4-acetylphenyl)-2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide.
What is the SMILES notation for 5-(4-acetylphenyl)-2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide?
The canonical SMILES for 5-(4-acetylphenyl)-2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide is CC(=O)c1ccc(-c2cc(C(=O)N[C@H]3CCCNC3)c(NC(N)=O)s2)cc1.
What is the InChIKey of 5-(4-acetylphenyl)-2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide?
The InChIKey is LILZBQJGXXRVSP-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-11(24)12-4-6-13(7-5-12)16-9-15(18(27-16)23-19(20)26)17(25)22-14-3-2-8-21-10-14/h4-7,9,14,21H,2-3,8,10H2,1H3,(H,22,25)(H3,20,23,26)/t14-/m0/s1.
What are the key properties of 5-(4-acetylphenyl)-2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide?
5-(4-acetylphenyl)-2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide has a molecular weight of 386.48 g/mol, XLogP of 2.59, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylphenyl)-2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide is sourced from PubChem (CID 44560617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).