3-(carbamoylamino)-5-(3,4-difluorophenyl)-N-piperidin-3-ylthiophene-2-carboxamide

C17H18F2N4O2S — CID 72830255

IUPAC3-(carbamoylamino)-5-(3,4-difluorophenyl)-N-piperidin-3-ylthiophene-2-carboxamide
SMILESNC(=O)Nc1cc(-c2ccc(F)c(F)c2)sc1C(=O)NC1CCCNC1
InChIInChI=1S/C17H18F2N4O2S/c18-11-4-3-9(6-12(11)19)14-7-13(23-17(20)25)15(26-14)16(24)22-10-2-1-5-21-8-10/h3-4,6-7,10,21H,1-2,5,8H2,(H,22,24)(H3,20,23,25)
InChIKeyZHBVOLHZHTTXMA-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.67
Rot. Bonds4

About 3-(carbamoylamino)-5-(3,4-difluorophenyl)-N-piperidin-3-ylthiophene-2-carboxamide

3-(carbamoylamino)-5-(3,4-difluorophenyl)-N-piperidin-3-ylthiophene-2-carboxamide (PubChem CID 72830255) has the molecular formula C17H18F2N4O2S and a molecular weight of 380.42 g/mol. Its IUPAC name is 3-(carbamoylamino)-5-(3,4-difluorophenyl)-N-piperidin-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-(carbamoylamino)-5-(3,4-difluorophenyl)-N-piperidin-3-ylthiophene-2-carboxamide
PubChem CID72830255
Molecular FormulaC17H18F2N4O2S
Molecular Weight380.42 g/mol
Exact Mass380.11
IUPAC Name3-(carbamoylamino)-5-(3,4-difluorophenyl)-N-piperidin-3-ylthiophene-2-carboxamide
SMILESNC(=O)Nc1cc(-c2ccc(F)c(F)c2)sc1C(=O)NC1CCCNC1
InChIInChI=1S/C17H18F2N4O2S/c18-11-4-3-9(6-12(11)19)14-7-13(23-17(20)25)15(26-14)16(24)22-10-2-1-5-21-8-10/h3-4,6-7,10,21H,1-2,5,8H2,(H,22,24)(H3,20,23,25)
InChIKeyZHBVOLHZHTTXMA-UHFFFAOYSA-N
XLogP2.67
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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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-[4-(dimethylamino)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 67077101
5-(4-chlorophenyl)-3-(hydroxycarbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 87260220
5-(1-benzothiophen-2-yl)-3-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 86609952
5-(4-chlorophenyl)-3-[(3-fluorophenyl)carbamoylamino]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 67077991
5-(4-amino-3-fluorophenyl)-2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 67077870
3-(carbamoylamino)-5-(2,5-dimethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 67077403
2-(carbamoylamino)-5-[4-fluoro-3-(hydroxymethyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 67077447
2-(carbamoylamino)-5-(4-fluorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 11349000
2-(carbamoylamino)-5-(4-chlorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 11451776
5-(4-chlorophenyl)-3-[(3,4-dimethoxyphenyl)carbamoylamino]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 67077972
3-(carbamoylamino)-5-[2-(3-fluorophenyl)ethyl]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 130358497

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-5-(3,4-difluorophenyl)-N-piperidin-3-ylthiophene-2-carboxamide?
The IUPAC name of 3-(carbamoylamino)-5-(3,4-difluorophenyl)-N-piperidin-3-ylthiophene-2-carboxamide (CID 72830255) is 3-(carbamoylamino)-5-(3,4-difluorophenyl)-N-piperidin-3-ylthiophene-2-carboxamide.
What is the SMILES notation for 3-(carbamoylamino)-5-(3,4-difluorophenyl)-N-piperidin-3-ylthiophene-2-carboxamide?
The canonical SMILES for 3-(carbamoylamino)-5-(3,4-difluorophenyl)-N-piperidin-3-ylthiophene-2-carboxamide is NC(=O)Nc1cc(-c2ccc(F)c(F)c2)sc1C(=O)NC1CCCNC1.
What is the InChIKey of 3-(carbamoylamino)-5-(3,4-difluorophenyl)-N-piperidin-3-ylthiophene-2-carboxamide?
The InChIKey is ZHBVOLHZHTTXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O2S/c18-11-4-3-9(6-12(11)19)14-7-13(23-17(20)25)15(26-14)16(24)22-10-2-1-5-21-8-10/h3-4,6-7,10,21H,1-2,5,8H2,(H,22,24)(H3,20,23,25).
What are the key properties of 3-(carbamoylamino)-5-(3,4-difluorophenyl)-N-piperidin-3-ylthiophene-2-carboxamide?
3-(carbamoylamino)-5-(3,4-difluorophenyl)-N-piperidin-3-ylthiophene-2-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 2.67, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-5-(3,4-difluorophenyl)-N-piperidin-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 72830255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).