2-(propan-2-ylamino)-N-(thian-2-ylmethyl)benzamide

C16H24N2OS — CID 80612321

IUPAC2-(propan-2-ylamino)-N-(thian-2-ylmethyl)benzamide
SMILESCC(C)Nc1ccccc1C(=O)NCC1CCCCS1
InChIInChI=1S/C16H24N2OS/c1-12(2)18-15-9-4-3-8-14(15)16(19)17-11-13-7-5-6-10-20-13/h3-4,8-9,12-13,18H,5-7,10-11H2,1-2H3,(H,17,19)
InChIKeyJXMHKEYGKBJFEJ-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.52
Rot. Bonds5

About 2-(propan-2-ylamino)-N-(thian-2-ylmethyl)benzamide

2-(propan-2-ylamino)-N-(thian-2-ylmethyl)benzamide (PubChem CID 80612321) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-N-(thian-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(propan-2-ylamino)-N-(thian-2-ylmethyl)benzamide
PubChem CID80612321
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name2-(propan-2-ylamino)-N-(thian-2-ylmethyl)benzamide
SMILESCC(C)Nc1ccccc1C(=O)NCC1CCCCS1
InChIInChI=1S/C16H24N2OS/c1-12(2)18-15-9-4-3-8-14(15)16(19)17-11-13-7-5-6-10-20-13/h3-4,8-9,12-13,18H,5-7,10-11H2,1-2H3,(H,17,19)
InChIKeyJXMHKEYGKBJFEJ-UHFFFAOYSA-N
XLogP3.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydrazinyl-N-(thiolan-2-ylmethyl)benzamide
CID 80586168
N-(cyclopropylmethyl)-2-(propan-2-ylamino)benzamide
CID 63107544
2-iodo-N-(thian-2-ylmethyl)benzamide
CID 80600117
2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide
CID 80586609
2-fluoro-3-methyl-N-(thian-2-ylmethyl)benzamide
CID 81482286
N-ethyl-2-(propan-2-ylamino)benzamide
CID 63107552
N-[(1-methylpiperidin-3-yl)methyl]-2-(propan-2-ylamino)benzamide
CID 63108415
2-iodo-3-methyl-N-(thiolan-2-ylmethyl)benzamide
CID 103750051
N-cycloheptyl-2-(propan-2-ylamino)benzamide
CID 63107657
1-chloro-N-(thian-2-ylmethyl)isoquinoline-4-carboxamide
CID 106766287
2-(propan-2-ylamino)-N-propylbenzamide
CID 63107529
3-amino-N-(thian-2-ylmethyl)benzamide
CID 80594846

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-N-(thian-2-ylmethyl)benzamide?
The IUPAC name of 2-(propan-2-ylamino)-N-(thian-2-ylmethyl)benzamide (CID 80612321) is 2-(propan-2-ylamino)-N-(thian-2-ylmethyl)benzamide.
What is the SMILES notation for 2-(propan-2-ylamino)-N-(thian-2-ylmethyl)benzamide?
The canonical SMILES for 2-(propan-2-ylamino)-N-(thian-2-ylmethyl)benzamide is CC(C)Nc1ccccc1C(=O)NCC1CCCCS1.
What is the InChIKey of 2-(propan-2-ylamino)-N-(thian-2-ylmethyl)benzamide?
The InChIKey is JXMHKEYGKBJFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-12(2)18-15-9-4-3-8-14(15)16(19)17-11-13-7-5-6-10-20-13/h3-4,8-9,12-13,18H,5-7,10-11H2,1-2H3,(H,17,19).
What are the key properties of 2-(propan-2-ylamino)-N-(thian-2-ylmethyl)benzamide?
2-(propan-2-ylamino)-N-(thian-2-ylmethyl)benzamide has a molecular weight of 292.45 g/mol, XLogP of 3.52, 5 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-(thian-2-ylmethyl)benzamide is sourced from PubChem (CID 80612321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).