N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]thiophene-3-carboxamide

C15H14N2O4S — CID 30267459

IUPACN-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]thiophene-3-carboxamide
SMILESO=C(CCNC(=O)c1ccsc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H14N2O4S/c18-14(3-5-16-15(19)10-4-6-22-8-10)17-11-1-2-12-13(7-11)21-9-20-12/h1-2,4,6-8H,3,5,9H2,(H,16,19)(H,17,18)
InChIKeyAUUUNQYEPIZFOD-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.24
Rot. Bonds5

About N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]thiophene-3-carboxamide

N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 30267459) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]thiophene-3-carboxamide
PubChem CID30267459
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC NameN-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]thiophene-3-carboxamide
SMILESO=C(CCNC(=O)c1ccsc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H14N2O4S/c18-14(3-5-16-15(19)10-4-6-22-8-10)17-11-1-2-12-13(7-11)21-9-20-12/h1-2,4,6-8H,3,5,9H2,(H,16,19)(H,17,18)
InChIKeyAUUUNQYEPIZFOD-UHFFFAOYSA-N
XLogP2.24
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-oxo-3-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)propyl]thiophene-3-carboxamide
CID 42280503
N-(1,3-benzodioxol-5-yl)-3-(propylcarbamoylamino)propanamide
CID 110370646
N-[3-oxo-3-(4-phenylanilino)propyl]thiophene-3-carboxamide
CID 46580901
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]pentanamide
CID 110370595
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]cyclopentanecarboxamide
CID 38766641
N-[3-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 30495442
N-[3-(3-morpholin-4-ylanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 55951920
N-(1,3-benzodioxol-5-yl)-3-(benzylcarbamoylamino)propanamide
CID 35046151
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-3-phenylpropanamide
CID 110370617
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]cyclohexanecarboxamide
CID 110370597
benzyl N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]carbamate
CID 110370640
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiophene-3-carboxamide
CID 18152283

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]thiophene-3-carboxamide (CID 30267459) is N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]thiophene-3-carboxamide is O=C(CCNC(=O)c1ccsc1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is AUUUNQYEPIZFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c18-14(3-5-16-15(19)10-4-6-22-8-10)17-11-1-2-12-13(7-11)21-9-20-12/h1-2,4,6-8H,3,5,9H2,(H,16,19)(H,17,18).
What are the key properties of N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]thiophene-3-carboxamide?
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 318.35 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 30267459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).