5-[[(2-methyl-3,4-dihydro-1H-naphthalen-2-yl)amino]methyl]thiophene-3-carboxamide

C17H20N2OS — CID 75384467

IUPAC5-[[(2-methyl-3,4-dihydro-1H-naphthalen-2-yl)amino]methyl]thiophene-3-carboxamide
SMILESCC1(NCc2cc(C(N)=O)cs2)CCc2ccccc2C1
InChIInChI=1S/C17H20N2OS/c1-17(7-6-12-4-2-3-5-13(12)9-17)19-10-15-8-14(11-21-15)16(18)20/h2-5,8,11,19H,6-7,9-10H2,1H3,(H2,18,20)
InChIKeyKUJBNTCQUPZSNK-UHFFFAOYSA-N
MW300.43 g/mol
LogP2.88
Rot. Bonds4

About 5-[[(2-methyl-3,4-dihydro-1H-naphthalen-2-yl)amino]methyl]thiophene-3-carboxamide

5-[[(2-methyl-3,4-dihydro-1H-naphthalen-2-yl)amino]methyl]thiophene-3-carboxamide (PubChem CID 75384467) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 5-[[(2-methyl-3,4-dihydro-1H-naphthalen-2-yl)amino]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[(2-methyl-3,4-dihydro-1H-naphthalen-2-yl)amino]methyl]thiophene-3-carboxamide
PubChem CID75384467
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name5-[[(2-methyl-3,4-dihydro-1H-naphthalen-2-yl)amino]methyl]thiophene-3-carboxamide
SMILESCC1(NCc2cc(C(N)=O)cs2)CCc2ccccc2C1
InChIInChI=1S/C17H20N2OS/c1-17(7-6-12-4-2-3-5-13(12)9-17)19-10-15-8-14(11-21-15)16(18)20/h2-5,8,11,19H,6-7,9-10H2,1H3,(H2,18,20)
InChIKeyKUJBNTCQUPZSNK-UHFFFAOYSA-N
XLogP2.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2-methyl-3,4-dihydro-1H-naphthalen-2-yl)amino]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[[(2-methyl-3,4-dihydro-1H-naphthalen-2-yl)amino]methyl]thiophene-3-carboxamide (CID 75384467) is 5-[[(2-methyl-3,4-dihydro-1H-naphthalen-2-yl)amino]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[[(2-methyl-3,4-dihydro-1H-naphthalen-2-yl)amino]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[[(2-methyl-3,4-dihydro-1H-naphthalen-2-yl)amino]methyl]thiophene-3-carboxamide is CC1(NCc2cc(C(N)=O)cs2)CCc2ccccc2C1.
What is the InChIKey of 5-[[(2-methyl-3,4-dihydro-1H-naphthalen-2-yl)amino]methyl]thiophene-3-carboxamide?
The InChIKey is KUJBNTCQUPZSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-17(7-6-12-4-2-3-5-13(12)9-17)19-10-15-8-14(11-21-15)16(18)20/h2-5,8,11,19H,6-7,9-10H2,1H3,(H2,18,20).
What are the key properties of 5-[[(2-methyl-3,4-dihydro-1H-naphthalen-2-yl)amino]methyl]thiophene-3-carboxamide?
5-[[(2-methyl-3,4-dihydro-1H-naphthalen-2-yl)amino]methyl]thiophene-3-carboxamide has a molecular weight of 300.43 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-methyl-3,4-dihydro-1H-naphthalen-2-yl)amino]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 75384467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).