N-[phenyl(thiophen-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C22H21NOS — CID 42889430

IUPACN-[phenyl(thiophen-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESO=C(NC(c1ccccc1)c1cccs1)C1CCCc2ccccc21
InChIInChI=1S/C22H21NOS/c24-22(19-13-6-11-16-8-4-5-12-18(16)19)23-21(20-14-7-15-25-20)17-9-2-1-3-10-17/h1-5,7-10,12,14-15,19,21H,6,11,13H2,(H,23,24)
InChIKeyRTTRGUQMEALPPF-UHFFFAOYSA-N
MW347.48 g/mol
LogP5.07
Rot. Bonds4

About N-[phenyl(thiophen-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

N-[phenyl(thiophen-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 42889430) has the molecular formula C22H21NOS and a molecular weight of 347.48 g/mol. Its IUPAC name is N-[phenyl(thiophen-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[phenyl(thiophen-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID42889430
Molecular FormulaC22H21NOS
Molecular Weight347.48 g/mol
Exact Mass347.13
IUPAC NameN-[phenyl(thiophen-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESO=C(NC(c1ccccc1)c1cccs1)C1CCCc2ccccc21
InChIInChI=1S/C22H21NOS/c24-22(19-13-6-11-16-8-4-5-12-18(16)19)23-21(20-14-7-15-25-20)17-9-2-1-3-10-17/h1-5,7-10,12,14-15,19,21H,6,11,13H2,(H,23,24)
InChIKeyRTTRGUQMEALPPF-UHFFFAOYSA-N
XLogP5.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.48
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzhydryl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 57256640
(2R)-2-phenyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)acetic acid
CID 119367745
(2R)-N-[(S)-phenyl(thiophen-2-yl)methyl]oxolane-2-carboxamide
CID 38010742
(1R)-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 39982815
N-(3-oxobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 64996915
1,1-dioxo-N-[phenyl(thiophen-2-yl)methyl]thiolane-3-carboxamide
CID 18090427
N-[1-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55576544
1-cyclopentyl-5-oxo-N-[phenyl(thiophen-2-yl)methyl]pyrrolidine-3-carboxamide
CID 46566073
N-(1-amino-1-hydroxyiminopropan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 76948358
N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]cyclopropanecarboxamide
CID 24553065
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 79245874
N-(4-hydroxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 115734909

Frequently Asked Questions

What is the IUPAC name of N-[phenyl(thiophen-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-[phenyl(thiophen-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 42889430) is N-[phenyl(thiophen-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-[phenyl(thiophen-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-[phenyl(thiophen-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is O=C(NC(c1ccccc1)c1cccs1)C1CCCc2ccccc21.
What is the InChIKey of N-[phenyl(thiophen-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is RTTRGUQMEALPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NOS/c24-22(19-13-6-11-16-8-4-5-12-18(16)19)23-21(20-14-7-15-25-20)17-9-2-1-3-10-17/h1-5,7-10,12,14-15,19,21H,6,11,13H2,(H,23,24).
What are the key properties of N-[phenyl(thiophen-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-[phenyl(thiophen-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 347.48 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl(thiophen-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 42889430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).