N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide

C19H15ClN2O3S — CID 2994859

IUPACN-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide
SMILESO=C(COc1ccccc1Cl)Nc1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C19H15ClN2O3S/c20-15-4-1-2-5-16(15)25-12-18(23)21-13-7-9-14(10-8-13)22-19(24)17-6-3-11-26-17/h1-11H,12H2,(H,21,23)(H,22,24)
InChIKeyXEWUPYWEZGCBTI-UHFFFAOYSA-N
MW386.86 g/mol
LogP4.67
Rot. Bonds6

About N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide

N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide (PubChem CID 2994859) has the molecular formula C19H15ClN2O3S and a molecular weight of 386.86 g/mol. Its IUPAC name is N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide
PubChem CID2994859
Molecular FormulaC19H15ClN2O3S
Molecular Weight386.86 g/mol
Exact Mass386.05
IUPAC NameN-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide
SMILESO=C(COc1ccccc1Cl)Nc1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C19H15ClN2O3S/c20-15-4-1-2-5-16(15)25-12-18(23)21-13-7-9-14(10-8-13)22-19(24)17-6-3-11-26-17/h1-11H,12H2,(H,21,23)(H,22,24)
InChIKeyXEWUPYWEZGCBTI-UHFFFAOYSA-N
XLogP4.67
TPSA67.43 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 ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 21211528
2-(2-chlorophenoxy)-N-phenylacetamide
CID 853450
2-(2-chlorophenoxy)-N-(4-phenylphenyl)acetamide
CID 7926033
2-(2-chlorophenoxy)-N-pyridin-4-ylacetamide
CID 21229438
N-[2-[5-[[2-(2-chlorophenoxy)acetyl]amino]-1-methylbenzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 50751969
2-(2-chlorophenoxy)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 8795729
3-chloro-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide
CID 1221731
4-tert-butyl-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide
CID 1221634
2-(2-chlorophenoxy)-N-(6-sulfanylidene-1H-pyridin-3-yl)acetamide
CID 82055419
N-[4-[(2-cyclopentyloxyacetyl)amino]phenyl]thiophene-2-carboxamide
CID 51102607
2-(2-chlorophenoxy)-N-(6-chloro-3-pyridinyl)acetamide
CID 54787980
2-[[4-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid
CID 45434890

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide (CID 2994859) is N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide is O=C(COc1ccccc1Cl)Nc1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide?
The InChIKey is XEWUPYWEZGCBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3S/c20-15-4-1-2-5-16(15)25-12-18(23)21-13-7-9-14(10-8-13)22-19(24)17-6-3-11-26-17/h1-11H,12H2,(H,21,23)(H,22,24).
What are the key properties of N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide?
N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide has a molecular weight of 386.86 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 2994859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).