N-[4-(thiophene-2-carbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C20H16N2O4S — CID 1157635

IUPACN-[4-(thiophene-2-carbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2cccs2)cc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H16N2O4S/c23-19(13-3-8-16-17(12-13)26-10-9-25-16)21-14-4-6-15(7-5-14)22-20(24)18-2-1-11-27-18/h1-8,11-12H,9-10H2,(H,21,23)(H,22,24)
InChIKeyDNPVOZDMEUTAAE-UHFFFAOYSA-N
MW380.43 g/mol
LogP4.02
Rot. Bonds4

About N-[4-(thiophene-2-carbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-[4-(thiophene-2-carbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 1157635) has the molecular formula C20H16N2O4S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-[4-(thiophene-2-carbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-[4-(thiophene-2-carbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID1157635
Molecular FormulaC20H16N2O4S
Molecular Weight380.43 g/mol
Exact Mass380.08
IUPAC NameN-[4-(thiophene-2-carbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2cccs2)cc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H16N2O4S/c23-19(13-3-8-16-17(12-13)26-10-9-25-16)21-14-4-6-15(7-5-14)22-20(24)18-2-1-11-27-18/h1-8,11-12H,9-10H2,(H,21,23)(H,22,24)
InChIKeyDNPVOZDMEUTAAE-UHFFFAOYSA-N
XLogP4.02
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-{[(3,4,5-trimethoxyphenyl)carbonyl]amino}phenyl)thiophene-2-carboxamide
CID 1164619
N-{(1Z)-1-(3,4-dimethoxyphenyl)-3-[(4-methylphenyl)amino]-3-oxoprop-1-en-2-yl}thiophene-2-carboxamide
CID 1946933
N-{(1Z)-1-(3,4-dimethoxyphenyl)-3-[(2-methylphenyl)amino]-3-oxoprop-1-en-2-yl}thiophene-2-carboxamide
CID 1968406
3-(2-hydroxyethoxy)-4-methoxy-N-(5-(3-(trifluoromethyl)benzyl)thiophen-2-yl)benzamide
CID 45267253
3,4,5-trimethoxy-N-[4-(2-thienylcarbonyl)phenyl]benzamide
CID 992725
N-[3-(propanoylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 651087
N-phenyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 870039
5-Benzyl-2-{[(3,4-diethoxyphenyl)acetyl]amino}-3-thiophenecarboxamide
CID 998792
Ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-5-ethylthiophene-3-carboxylate
CID 1036905
N-[3-[(4-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 1072987
Thiophene-2-carboxylic acid [3-(3,4-dimethoxy-benzoylamino)-phenyl]-amide
CID 1078727
3-Methoxy-N-{4-[4-(thiophene-2-carbonyl)-piperazin-1-yl]-phenyl}-benzamide
CID 1088841

Frequently Asked Questions

What is the IUPAC name of N-[4-(thiophene-2-carbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-[4-(thiophene-2-carbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 1157635) is N-[4-(thiophene-2-carbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-[4-(thiophene-2-carbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-[4-(thiophene-2-carbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is O=C(Nc1ccc(NC(=O)c2cccs2)cc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[4-(thiophene-2-carbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is DNPVOZDMEUTAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4S/c23-19(13-3-8-16-17(12-13)26-10-9-25-16)21-14-4-6-15(7-5-14)22-20(24)18-2-1-11-27-18/h1-8,11-12H,9-10H2,(H,21,23)(H,22,24).
What are the key properties of N-[4-(thiophene-2-carbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-[4-(thiophene-2-carbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 380.43 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(thiophene-2-carbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 1157635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).