N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-sulfanylbenzamide

C15H17NOS2 — CID 107030799

IUPACN-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-sulfanylbenzamide
SMILESCc1ccc(CC(C)NC(=O)c2cccc(S)c2)s1
InChIInChI=1S/C15H17NOS2/c1-10(8-14-7-6-11(2)19-14)16-15(17)12-4-3-5-13(18)9-12/h3-7,9-10,18H,8H2,1-2H3,(H,16,17)
InChIKeyPGYCSNZQHOZZBC-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.71
Rot. Bonds4

About N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-sulfanylbenzamide

N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-sulfanylbenzamide (PubChem CID 107030799) has the molecular formula C15H17NOS2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-sulfanylbenzamide.

Molecular Properties

Compound NameN-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-sulfanylbenzamide
PubChem CID107030799
Molecular FormulaC15H17NOS2
Molecular Weight291.44 g/mol
Exact Mass291.08
IUPAC NameN-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-sulfanylbenzamide
SMILESCc1ccc(CC(C)NC(=O)c2cccc(S)c2)s1
InChIInChI=1S/C15H17NOS2/c1-10(8-14-7-6-11(2)19-14)16-15(17)12-4-3-5-13(18)9-12/h3-7,9-10,18H,8H2,1-2H3,(H,16,17)
InChIKeyPGYCSNZQHOZZBC-UHFFFAOYSA-N
XLogP3.71
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide;hydrochloride
CID 119796744
3-bromo-4-chloro-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
CID 107999560
4-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide;hydrochloride
CID 119796726
2,3-dihydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
CID 114344434
5-(3-aminoprop-1-ynyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]thiophene-3-carboxamide
CID 79691917
3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-oxo-1H-benzimidazole-5-carboxamide
CID 138992320
methyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate
CID 115641171
5-bromo-2-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
CID 65311265
3-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]benzoic acid
CID 103254218
3-[1-(5-methylthiophen-2-yl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369708
2-fluoro-4-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
CID 103941360
(2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propanamide;hydrochloride
CID 119330928

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-sulfanylbenzamide?
The IUPAC name of N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-sulfanylbenzamide (CID 107030799) is N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-sulfanylbenzamide.
What is the SMILES notation for N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-sulfanylbenzamide?
The canonical SMILES for N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-sulfanylbenzamide is Cc1ccc(CC(C)NC(=O)c2cccc(S)c2)s1.
What is the InChIKey of N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-sulfanylbenzamide?
The InChIKey is PGYCSNZQHOZZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS2/c1-10(8-14-7-6-11(2)19-14)16-15(17)12-4-3-5-13(18)9-12/h3-7,9-10,18H,8H2,1-2H3,(H,16,17).
What are the key properties of N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-sulfanylbenzamide?
N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-sulfanylbenzamide has a molecular weight of 291.44 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-sulfanylbenzamide is sourced from PubChem (CID 107030799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).