5-[[propyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]methyl]thiophene-3-carboxamide

C19H24N2OS — CID 97157550

IUPAC5-[[propyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]methyl]thiophene-3-carboxamide
SMILESCCCN(Cc1cc(C(N)=O)cs1)[C@H]1CCc2ccccc2C1
InChIInChI=1S/C19H24N2OS/c1-2-9-21(12-18-11-16(13-23-18)19(20)22)17-8-7-14-5-3-4-6-15(14)10-17/h3-6,11,13,17H,2,7-10,12H2,1H3,(H2,20,22)/t17-/m0/s1
InChIKeyJNDJZCFXDPSHNR-KRWDZBQOSA-N
MW328.48 g/mol
LogP3.62
Rot. Bonds6

About 5-[[propyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]methyl]thiophene-3-carboxamide

5-[[propyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]methyl]thiophene-3-carboxamide (PubChem CID 97157550) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is 5-[[propyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[propyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]methyl]thiophene-3-carboxamide
PubChem CID97157550
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name5-[[propyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]methyl]thiophene-3-carboxamide
SMILESCCCN(Cc1cc(C(N)=O)cs1)[C@H]1CCc2ccccc2C1
InChIInChI=1S/C19H24N2OS/c1-2-9-21(12-18-11-16(13-23-18)19(20)22)17-8-7-14-5-3-4-6-15(14)10-17/h3-6,11,13,17H,2,7-10,12H2,1H3,(H2,20,22)/t17-/m0/s1
InChIKeyJNDJZCFXDPSHNR-KRWDZBQOSA-N
XLogP3.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[propyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[[propyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]methyl]thiophene-3-carboxamide (CID 97157550) is 5-[[propyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[[propyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[[propyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]methyl]thiophene-3-carboxamide is CCCN(Cc1cc(C(N)=O)cs1)[C@H]1CCc2ccccc2C1.
What is the InChIKey of 5-[[propyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]methyl]thiophene-3-carboxamide?
The InChIKey is JNDJZCFXDPSHNR-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-2-9-21(12-18-11-16(13-23-18)19(20)22)17-8-7-14-5-3-4-6-15(14)10-17/h3-6,11,13,17H,2,7-10,12H2,1H3,(H2,20,22)/t17-/m0/s1.
What are the key properties of 5-[[propyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]methyl]thiophene-3-carboxamide?
5-[[propyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]methyl]thiophene-3-carboxamide has a molecular weight of 328.48 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[propyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 97157550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).