N-(3-carbamoylthiophen-2-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide

C15H15N3O2S — CID 106901385

IUPACN-(3-carbamoylthiophen-2-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)C1CNc2ccccc2C1
InChIInChI=1S/C15H15N3O2S/c16-13(19)11-5-6-21-15(11)18-14(20)10-7-9-3-1-2-4-12(9)17-8-10/h1-6,10,17H,7-8H2,(H2,16,19)(H,18,20)
InChIKeyIEUUSFHNVLIHNY-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.07
Rot. Bonds3

About N-(3-carbamoylthiophen-2-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide

N-(3-carbamoylthiophen-2-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide (PubChem CID 106901385) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(3-carbamoylthiophen-2-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoylthiophen-2-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
PubChem CID106901385
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-(3-carbamoylthiophen-2-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)C1CNc2ccccc2C1
InChIInChI=1S/C15H15N3O2S/c16-13(19)11-5-6-21-15(11)18-14(20)10-7-9-3-1-2-4-12(9)17-8-10/h1-6,10,17H,7-8H2,(H2,16,19)(H,18,20)
InChIKeyIEUUSFHNVLIHNY-UHFFFAOYSA-N
XLogP2.07
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-pyridazin-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901781
N-(4-chlorophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901174
N-(3-hydroxy-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901707
N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901165
N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901236
(3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 34181194
N-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901173
N-(2-hydroxyethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901213
N-(3-chloro-2-methylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901161
N-(2-chloro-4-iodophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901274
N-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901584
N-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901469

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoylthiophen-2-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-(3-carbamoylthiophen-2-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide (CID 106901385) is N-(3-carbamoylthiophen-2-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-(3-carbamoylthiophen-2-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-(3-carbamoylthiophen-2-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide is NC(=O)c1ccsc1NC(=O)C1CNc2ccccc2C1.
What is the InChIKey of N-(3-carbamoylthiophen-2-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The InChIKey is IEUUSFHNVLIHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c16-13(19)11-5-6-21-15(11)18-14(20)10-7-9-3-1-2-4-12(9)17-8-10/h1-6,10,17H,7-8H2,(H2,16,19)(H,18,20).
What are the key properties of N-(3-carbamoylthiophen-2-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
N-(3-carbamoylthiophen-2-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 2.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoylthiophen-2-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 106901385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).