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

C17H19FN4O2S — CID 44560374

IUPAC2-(carbamoylamino)-5-(2-fluorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
SMILESNC(=O)Nc1sc(-c2ccccc2F)cc1C(=O)N[C@H]1CCCNC1
InChIInChI=1S/C17H19FN4O2S/c18-13-6-2-1-5-11(13)14-8-12(16(25-14)22-17(19)24)15(23)21-10-4-3-7-20-9-10/h1-2,5-6,8,10,20H,3-4,7,9H2,(H,21,23)(H3,19,22,24)/t10-/m0/s1
InChIKeyZYITZPCUXXBBIN-JTQLQIEISA-N
MW362.43 g/mol
LogP2.53
Rot. Bonds4

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

2-(carbamoylamino)-5-(2-fluorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide (PubChem CID 44560374) has the molecular formula C17H19FN4O2S and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-(2-fluorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-(2-fluorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
PubChem CID44560374
Molecular FormulaC17H19FN4O2S
Molecular Weight362.43 g/mol
Exact Mass362.12
IUPAC Name2-(carbamoylamino)-5-(2-fluorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
SMILESNC(=O)Nc1sc(-c2ccccc2F)cc1C(=O)N[C@H]1CCCNC1
InChIInChI=1S/C17H19FN4O2S/c18-13-6-2-1-5-11(13)14-8-12(16(25-14)22-17(19)24)15(23)21-10-4-3-7-20-9-10/h1-2,5-6,8,10,20H,3-4,7,9H2,(H,21,23)(H3,19,22,24)/t10-/m0/s1
InChIKeyZYITZPCUXXBBIN-JTQLQIEISA-N
XLogP2.53
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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Tpca-1
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CID 11451776
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Lsmotinib
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3-(carbamoylamino)-5-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 57519527
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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-(2-fluorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-(2-fluorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide (CID 44560374) is 2-(carbamoylamino)-5-(2-fluorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-(2-fluorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-(2-fluorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide is NC(=O)Nc1sc(-c2ccccc2F)cc1C(=O)N[C@H]1CCCNC1.
What is the InChIKey of 2-(carbamoylamino)-5-(2-fluorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide?
The InChIKey is ZYITZPCUXXBBIN-JTQLQIEISA-N. The full InChI is InChI=1S/C17H19FN4O2S/c18-13-6-2-1-5-11(13)14-8-12(16(25-14)22-17(19)24)15(23)21-10-4-3-7-20-9-10/h1-2,5-6,8,10,20H,3-4,7,9H2,(H,21,23)(H3,19,22,24)/t10-/m0/s1.
What are the key properties of 2-(carbamoylamino)-5-(2-fluorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide?
2-(carbamoylamino)-5-(2-fluorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.53, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-(2-fluorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide is sourced from PubChem (CID 44560374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).