N-[3-(2-amino-2-oxoethoxy)phenyl]-5-(4-chlorophenyl)thiophene-2-carboxamide

C19H15ClN2O3S — CID 18155395

IUPACN-[3-(2-amino-2-oxoethoxy)phenyl]-5-(4-chlorophenyl)thiophene-2-carboxamide
SMILESNC(=O)COc1cccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)s2)c1
InChIInChI=1S/C19H15ClN2O3S/c20-13-6-4-12(5-7-13)16-8-9-17(26-16)19(24)22-14-2-1-3-15(10-14)25-11-18(21)23/h1-10H,11H2,(H2,21,23)(H,22,24)
InChIKeyAAVVBPRYTJZJAY-UHFFFAOYSA-N
MW386.86 g/mol
LogP4.18
Rot. Bonds6

About N-[3-(2-amino-2-oxoethoxy)phenyl]-5-(4-chlorophenyl)thiophene-2-carboxamide

N-[3-(2-amino-2-oxoethoxy)phenyl]-5-(4-chlorophenyl)thiophene-2-carboxamide (PubChem CID 18155395) has the molecular formula C19H15ClN2O3S and a molecular weight of 386.86 g/mol. Its IUPAC name is N-[3-(2-amino-2-oxoethoxy)phenyl]-5-(4-chlorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-2-oxoethoxy)phenyl]-5-(4-chlorophenyl)thiophene-2-carboxamide
PubChem CID18155395
Molecular FormulaC19H15ClN2O3S
Molecular Weight386.86 g/mol
Exact Mass386.05
IUPAC NameN-[3-(2-amino-2-oxoethoxy)phenyl]-5-(4-chlorophenyl)thiophene-2-carboxamide
SMILESNC(=O)COc1cccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)s2)c1
InChIInChI=1S/C19H15ClN2O3S/c20-13-6-4-12(5-7-13)16-8-9-17(26-16)19(24)22-14-2-1-3-15(10-14)25-11-18(21)23/h1-10H,11H2,(H2,21,23)(H,22,24)
InChIKeyAAVVBPRYTJZJAY-UHFFFAOYSA-N
XLogP4.18
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 33266017
N-[3-(2-amino-2-oxoethoxy)phenyl]-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625856
N-[3-(2-amino-2-oxoethoxy)phenyl]thiophene-2-carboxamide
CID 46529043
N-[3-(2-amino-2-oxoethoxy)phenyl]-2,4-dichloro-5-fluorobenzamide
CID 18155447
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(2-methoxyethoxy)phenyl]thiophene-2-carboxamide
CID 55879229
N-(4-chlorophenyl)-5-pyridin-4-ylthiophene-2-carboxamide
CID 11493386
N-(1,3-benzodioxol-5-yl)-5-(4-chlorophenyl)thiophene-2-carboxamide
CID 26718880
5-(4-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]thiophene-2-carboxamide
CID 55567080
N'-(3-chlorophenyl)-5-(4-chlorophenyl)thiophene-2-carbohydrazide
CID 43009139
2-[3-[[5-(3,5-dichlorophenyl)-2-fluorobenzoyl]amino]phenoxy]acetic acid
CID 59654625
N-[3-(2-amino-2-oxoethoxy)phenyl]-3-oxobutanamide
CID 61251264
N-[3-(2-amino-2-oxoethoxy)phenyl]-2,2-dimethylpropanamide
CID 38160075

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-2-oxoethoxy)phenyl]-5-(4-chlorophenyl)thiophene-2-carboxamide?
The IUPAC name of N-[3-(2-amino-2-oxoethoxy)phenyl]-5-(4-chlorophenyl)thiophene-2-carboxamide (CID 18155395) is N-[3-(2-amino-2-oxoethoxy)phenyl]-5-(4-chlorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(2-amino-2-oxoethoxy)phenyl]-5-(4-chlorophenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[3-(2-amino-2-oxoethoxy)phenyl]-5-(4-chlorophenyl)thiophene-2-carboxamide is NC(=O)COc1cccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)s2)c1.
What is the InChIKey of N-[3-(2-amino-2-oxoethoxy)phenyl]-5-(4-chlorophenyl)thiophene-2-carboxamide?
The InChIKey is AAVVBPRYTJZJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3S/c20-13-6-4-12(5-7-13)16-8-9-17(26-16)19(24)22-14-2-1-3-15(10-14)25-11-18(21)23/h1-10H,11H2,(H2,21,23)(H,22,24).
What are the key properties of N-[3-(2-amino-2-oxoethoxy)phenyl]-5-(4-chlorophenyl)thiophene-2-carboxamide?
N-[3-(2-amino-2-oxoethoxy)phenyl]-5-(4-chlorophenyl)thiophene-2-carboxamide has a molecular weight of 386.86 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-2-oxoethoxy)phenyl]-5-(4-chlorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 18155395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).