2-(propan-2-ylamino)-N-thiophen-3-ylbenzamide

C14H16N2OS — CID 66354382

IUPAC2-(propan-2-ylamino)-N-thiophen-3-ylbenzamide
SMILESCC(C)Nc1ccccc1C(=O)Nc1ccsc1
InChIInChI=1S/C14H16N2OS/c1-10(2)15-13-6-4-3-5-12(13)14(17)16-11-7-8-18-9-11/h3-10,15H,1-2H3,(H,16,17)
InChIKeyKTYIQBDIGWTQQB-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.82
Rot. Bonds4

About 2-(propan-2-ylamino)-N-thiophen-3-ylbenzamide

2-(propan-2-ylamino)-N-thiophen-3-ylbenzamide (PubChem CID 66354382) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-N-thiophen-3-ylbenzamide.

Molecular Properties

Compound Name2-(propan-2-ylamino)-N-thiophen-3-ylbenzamide
PubChem CID66354382
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name2-(propan-2-ylamino)-N-thiophen-3-ylbenzamide
SMILESCC(C)Nc1ccccc1C(=O)Nc1ccsc1
InChIInChI=1S/C14H16N2OS/c1-10(2)15-13-6-4-3-5-12(13)14(17)16-11-7-8-18-9-11/h3-10,15H,1-2H3,(H,16,17)
InChIKeyKTYIQBDIGWTQQB-UHFFFAOYSA-N
XLogP3.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylphenyl)-2-(propan-2-ylamino)benzamide
CID 63107622
2-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 63107522
N-[2-[(4-propan-2-yloxyphenyl)carbamoyl]phenyl]thiophene-3-carboxamide
CID 60555404
N-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)benzamide
CID 63107936
N-(2-cyanophenyl)-2-(propan-2-ylamino)benzamide
CID 63107973
N-ethyl-2-(propan-2-ylamino)benzamide
CID 63107552
N-(1,3-dihydroxypropan-2-yl)-2-(propan-2-ylamino)benzamide
CID 65313573
2-(propan-2-ylamino)-N-propylbenzamide
CID 63107529
2-(propan-2-ylamino)-N-(thian-2-ylmethyl)benzamide
CID 80612321
N-[(1R)-1-cyclohexylethyl]-2-(propan-2-ylamino)benzamide
CID 81389065
methyl 3-[[2-(propan-2-ylamino)benzoyl]amino]propanoate
CID 63108007
3-(methylamino)-N-thiophen-3-ylpyridine-4-carboxamide
CID 105070562

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-N-thiophen-3-ylbenzamide?
The IUPAC name of 2-(propan-2-ylamino)-N-thiophen-3-ylbenzamide (CID 66354382) is 2-(propan-2-ylamino)-N-thiophen-3-ylbenzamide.
What is the SMILES notation for 2-(propan-2-ylamino)-N-thiophen-3-ylbenzamide?
The canonical SMILES for 2-(propan-2-ylamino)-N-thiophen-3-ylbenzamide is CC(C)Nc1ccccc1C(=O)Nc1ccsc1.
What is the InChIKey of 2-(propan-2-ylamino)-N-thiophen-3-ylbenzamide?
The InChIKey is KTYIQBDIGWTQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-10(2)15-13-6-4-3-5-12(13)14(17)16-11-7-8-18-9-11/h3-10,15H,1-2H3,(H,16,17).
What are the key properties of 2-(propan-2-ylamino)-N-thiophen-3-ylbenzamide?
2-(propan-2-ylamino)-N-thiophen-3-ylbenzamide has a molecular weight of 260.36 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-N-thiophen-3-ylbenzamide is sourced from PubChem (CID 66354382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).