N-[2-(2-aminoethylcarbamoyl)phenyl]-5-chlorothiophene-2-carboxamide

C14H14ClN3O2S — CID 107000040

IUPACN-[2-(2-aminoethylcarbamoyl)phenyl]-5-chlorothiophene-2-carboxamide
SMILESNCCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H14ClN3O2S/c15-12-6-5-11(21-12)14(20)18-10-4-2-1-3-9(10)13(19)17-8-7-16/h1-6H,7-8,16H2,(H,17,19)(H,18,20)
InChIKeyHNYQNZUQOGNEBF-UHFFFAOYSA-N
MW323.81 g/mol
LogP2.34
Rot. Bonds5

About N-[2-(2-aminoethylcarbamoyl)phenyl]-5-chlorothiophene-2-carboxamide

N-[2-(2-aminoethylcarbamoyl)phenyl]-5-chlorothiophene-2-carboxamide (PubChem CID 107000040) has the molecular formula C14H14ClN3O2S and a molecular weight of 323.81 g/mol. Its IUPAC name is N-[2-(2-aminoethylcarbamoyl)phenyl]-5-chlorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-aminoethylcarbamoyl)phenyl]-5-chlorothiophene-2-carboxamide
PubChem CID107000040
Molecular FormulaC14H14ClN3O2S
Molecular Weight323.81 g/mol
Exact Mass323.05
IUPAC NameN-[2-(2-aminoethylcarbamoyl)phenyl]-5-chlorothiophene-2-carboxamide
SMILESNCCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H14ClN3O2S/c15-12-6-5-11(21-12)14(20)18-10-4-2-1-3-9(10)13(19)17-8-7-16/h1-6H,7-8,16H2,(H,17,19)(H,18,20)
InChIKeyHNYQNZUQOGNEBF-UHFFFAOYSA-N
XLogP2.34
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.81
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-2-[3-(5-chlorothiophen-2-yl)propanoylamino]benzamide;hydrochloride
CID 120603678
5-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide
CID 55037454
N-[2-(2-aminoethylcarbamoyl)phenyl]-2-chlorofuran-3-carboxamide
CID 106999665
N-[2-(2-aminoethylcarbamoyl)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 120603902
N-[2-(2-aminoethylcarbamoyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 120604384
5-chloro-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 7750910
N-(2-aminoethyl)-2-(dimethylcarbamoylamino)benzamide
CID 107000060
N-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromothiophene-3-carboxamide
CID 107143415
N-[2-(2-aminoethylcarbamoyl)phenyl]-3-bromothiophene-2-carboxamide
CID 107000041
N-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethylthiophene-2-carboxamide
CID 120604147
N-(2-aminoethyl)-2-(but-3-enoylamino)benzamide
CID 106999671
N-[2-(2-aminoethylcarbamoyl)phenyl]-1H-imidazole-5-carboxamide
CID 107000042

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethylcarbamoyl)phenyl]-5-chlorothiophene-2-carboxamide?
The IUPAC name of N-[2-(2-aminoethylcarbamoyl)phenyl]-5-chlorothiophene-2-carboxamide (CID 107000040) is N-[2-(2-aminoethylcarbamoyl)phenyl]-5-chlorothiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-aminoethylcarbamoyl)phenyl]-5-chlorothiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-aminoethylcarbamoyl)phenyl]-5-chlorothiophene-2-carboxamide is NCCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)s1.
What is the InChIKey of N-[2-(2-aminoethylcarbamoyl)phenyl]-5-chlorothiophene-2-carboxamide?
The InChIKey is HNYQNZUQOGNEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2S/c15-12-6-5-11(21-12)14(20)18-10-4-2-1-3-9(10)13(19)17-8-7-16/h1-6H,7-8,16H2,(H,17,19)(H,18,20).
What are the key properties of N-[2-(2-aminoethylcarbamoyl)phenyl]-5-chlorothiophene-2-carboxamide?
N-[2-(2-aminoethylcarbamoyl)phenyl]-5-chlorothiophene-2-carboxamide has a molecular weight of 323.81 g/mol, XLogP of 2.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethylcarbamoyl)phenyl]-5-chlorothiophene-2-carboxamide is sourced from PubChem (CID 107000040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).