N-[3-(naphthalen-1-ylamino)-3-oxopropyl]thiophene-3-carboxamide

C18H16N2O2S — CID 30268724

IUPACN-[3-(naphthalen-1-ylamino)-3-oxopropyl]thiophene-3-carboxamide
SMILESO=C(CCNC(=O)c1ccsc1)Nc1cccc2ccccc12
InChIInChI=1S/C18H16N2O2S/c21-17(8-10-19-18(22)14-9-11-23-12-14)20-16-7-3-5-13-4-1-2-6-15(13)16/h1-7,9,11-12H,8,10H2,(H,19,22)(H,20,21)
InChIKeyQBEVURQNJTXYQB-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.66
Rot. Bonds5

About N-[3-(naphthalen-1-ylamino)-3-oxopropyl]thiophene-3-carboxamide

N-[3-(naphthalen-1-ylamino)-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 30268724) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-[3-(naphthalen-1-ylamino)-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(naphthalen-1-ylamino)-3-oxopropyl]thiophene-3-carboxamide
PubChem CID30268724
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC NameN-[3-(naphthalen-1-ylamino)-3-oxopropyl]thiophene-3-carboxamide
SMILESO=C(CCNC(=O)c1ccsc1)Nc1cccc2ccccc12
InChIInChI=1S/C18H16N2O2S/c21-17(8-10-19-18(22)14-9-11-23-12-14)20-16-7-3-5-13-4-1-2-6-15(13)16/h1-7,9,11-12H,8,10H2,(H,19,22)(H,20,21)
InChIKeyQBEVURQNJTXYQB-UHFFFAOYSA-N
XLogP3.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-hydroxyanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 18126266
N-[3-(2,6-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 78802763
N-[3-[2-(ethoxymethyl)anilino]-3-oxopropyl]thiophene-3-carboxamide
CID 86821772
N-[3-[2-(dimethylsulfamoyl)anilino]-3-oxopropyl]thiophene-3-carboxamide
CID 55984716
N-[3-[2-(azepan-1-yl)anilino]-3-oxopropyl]thiophene-3-carboxamide
CID 38165800
N-[3-[[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]amino]-3-oxopropyl]thiophene-3-carboxamide
CID 49492296
N-[3-oxo-3-(4-phenylanilino)propyl]thiophene-3-carboxamide
CID 46580901
N-[3-(2,4-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 17499617
N-[3-(2,5-dibromoanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 39166512
N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 30266946
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058

Frequently Asked Questions

What is the IUPAC name of N-[3-(naphthalen-1-ylamino)-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-(naphthalen-1-ylamino)-3-oxopropyl]thiophene-3-carboxamide (CID 30268724) is N-[3-(naphthalen-1-ylamino)-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-(naphthalen-1-ylamino)-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-(naphthalen-1-ylamino)-3-oxopropyl]thiophene-3-carboxamide is O=C(CCNC(=O)c1ccsc1)Nc1cccc2ccccc12.
What is the InChIKey of N-[3-(naphthalen-1-ylamino)-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is QBEVURQNJTXYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c21-17(8-10-19-18(22)14-9-11-23-12-14)20-16-7-3-5-13-4-1-2-6-15(13)16/h1-7,9,11-12H,8,10H2,(H,19,22)(H,20,21).
What are the key properties of N-[3-(naphthalen-1-ylamino)-3-oxopropyl]thiophene-3-carboxamide?
N-[3-(naphthalen-1-ylamino)-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 324.41 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(naphthalen-1-ylamino)-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 30268724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).