5-(4-chlorophenyl)-3-(hydroxycarbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide

C17H19ClN4O3S — CID 87260220

IUPAC5-(4-chlorophenyl)-3-(hydroxycarbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
SMILESO=C(NO)Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)N[C@H]1CCCNC1
InChIInChI=1S/C17H19ClN4O3S/c18-11-5-3-10(4-6-11)14-8-13(21-17(24)22-25)15(26-14)16(23)20-12-2-1-7-19-9-12/h3-6,8,12,19,25H,1-2,7,9H2,(H,20,23)(H2,21,22,24)/t12-/m0/s1
InChIKeyHYHAEOHTPVBODU-LBPRGKRZSA-N
MW394.88 g/mol
LogP3.06
Rot. Bonds4

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

5-(4-chlorophenyl)-3-(hydroxycarbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide (PubChem CID 87260220) has the molecular formula C17H19ClN4O3S and a molecular weight of 394.88 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(hydroxycarbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(hydroxycarbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
PubChem CID87260220
Molecular FormulaC17H19ClN4O3S
Molecular Weight394.88 g/mol
Exact Mass394.09
IUPAC Name5-(4-chlorophenyl)-3-(hydroxycarbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
SMILESO=C(NO)Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)N[C@H]1CCCNC1
InChIInChI=1S/C17H19ClN4O3S/c18-11-5-3-10(4-6-11)14-8-13(21-17(24)22-25)15(26-14)16(23)20-12-2-1-7-19-9-12/h3-6,8,12,19,25H,1-2,7,9H2,(H,20,23)(H2,21,22,24)/t12-/m0/s1
InChIKeyHYHAEOHTPVBODU-LBPRGKRZSA-N
XLogP3.06
TPSA102.49 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 53.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(4-chlorophenyl)-3-[(3-fluorophenyl)carbamoylamino]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 67077991
5-(4-chlorophenyl)-3-[(3,4-dimethoxyphenyl)carbamoylamino]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 67077972
5-(4-chlorophenyl)-3-[(4-phenylmethoxyphenyl)carbamoylamino]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 67078029
3-(carbamoylamino)-5-(3,4-difluorophenyl)-N-piperidin-3-ylthiophene-2-carboxamide
CID 72830255
3-(carbamoylamino)-5-[4-(dimethylamino)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 67077101
2-(carbamoylamino)-5-(4-chlorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 11451776
5-(4-chlorophenyl)-N-piperidin-3-ylthiophene-2-carboxamide
CID 119426767
3-(carbamoylamino)-5-(3,4-dimethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 67077396
5-(1-benzothiophen-2-yl)-3-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 86609952
3-(4-chlorophenyl)-N-piperidin-3-yl-1H-pyrazole-5-carboxamide
CID 119424765
3-methoxy-5-phenyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 119427157
3-(carbamoylamino)-5-(2,5-dimethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 67077403

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-(hydroxycarbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-3-(hydroxycarbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide (CID 87260220) is 5-(4-chlorophenyl)-3-(hydroxycarbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(hydroxycarbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-3-(hydroxycarbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide is O=C(NO)Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)N[C@H]1CCCNC1.
What is the InChIKey of 5-(4-chlorophenyl)-3-(hydroxycarbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide?
The InChIKey is HYHAEOHTPVBODU-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19ClN4O3S/c18-11-5-3-10(4-6-11)14-8-13(21-17(24)22-25)15(26-14)16(23)20-12-2-1-7-19-9-12/h3-6,8,12,19,25H,1-2,7,9H2,(H,20,23)(H2,21,22,24)/t12-/m0/s1.
What are the key properties of 5-(4-chlorophenyl)-3-(hydroxycarbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide?
5-(4-chlorophenyl)-3-(hydroxycarbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide has a molecular weight of 394.88 g/mol, XLogP of 3.06, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-(hydroxycarbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 87260220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).