4,5-dimethyl-2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carboxamide

C18H17N3O2S — CID 35523539

IUPAC4,5-dimethyl-2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carboxamide
SMILESCc1sc(NC(=O)Nc2cccc3ccccc23)c(C(N)=O)c1C
InChIInChI=1S/C18H17N3O2S/c1-10-11(2)24-17(15(10)16(19)22)21-18(23)20-14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,1-2H3,(H2,19,22)(H2,20,21,23)
InChIKeyKNSNUXUTEQYFPP-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.26
Rot. Bonds3

About 4,5-dimethyl-2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carboxamide

4,5-dimethyl-2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carboxamide (PubChem CID 35523539) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 4,5-dimethyl-2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carboxamide
PubChem CID35523539
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name4,5-dimethyl-2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carboxamide
SMILESCc1sc(NC(=O)Nc2cccc3ccccc23)c(C(N)=O)c1C
InChIInChI=1S/C18H17N3O2S/c1-10-11(2)24-17(15(10)16(19)22)21-18(23)20-14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,1-2H3,(H2,19,22)(H2,20,21,23)
InChIKeyKNSNUXUTEQYFPP-UHFFFAOYSA-N
XLogP4.26
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dimethyl-2-[(2-naphthalen-2-ylacetyl)amino]thiophene-3-carboxamide
CID 46926709
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
ethyl 4,5-dimethyl-2-[(2-naphthalen-1-ylacetyl)amino]thiophene-3-carboxylate
CID 1019649
1-N,3-N-bis(3-carbamoyl-4,5-dimethylthiophen-2-yl)benzene-1,3-dicarboxamide
CID 4144857
2-[(2-bromobenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 1021509
4,5-dimethyl-2-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]thiophene-3-carboxamide
CID 84568080
2-[(2-iodo-3-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 56502350
1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
naphthalen-1-ylurea;hydrochloride
CID 141142203
4,5-dimethyl-2-(propanoylamino)thiophene-3-carboxamide
CID 675872
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-(2-methylphenyl)quinoline-4-carboxamide
CID 4296746

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carboxamide?
The IUPAC name of 4,5-dimethyl-2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carboxamide (CID 35523539) is 4,5-dimethyl-2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carboxamide is Cc1sc(NC(=O)Nc2cccc3ccccc23)c(C(N)=O)c1C.
What is the InChIKey of 4,5-dimethyl-2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carboxamide?
The InChIKey is KNSNUXUTEQYFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-10-11(2)24-17(15(10)16(19)22)21-18(23)20-14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,1-2H3,(H2,19,22)(H2,20,21,23).
What are the key properties of 4,5-dimethyl-2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carboxamide?
4,5-dimethyl-2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 4.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carboxamide is sourced from PubChem (CID 35523539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).