N-cyclopropyl-3-sulfanyl-N-(thiophen-2-ylmethyl)benzamide

C15H15NOS2 — CID 107024795

IUPACN-cyclopropyl-3-sulfanyl-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(c1cccc(S)c1)N(Cc1cccs1)C1CC1
InChIInChI=1S/C15H15NOS2/c17-15(11-3-1-4-13(18)9-11)16(12-6-7-12)10-14-5-2-8-19-14/h1-5,8-9,12,18H,6-7,10H2
InChIKeyKTYPRBIZXIHNPE-UHFFFAOYSA-N
MW289.43 g/mol
LogP3.84
Rot. Bonds4

About N-cyclopropyl-3-sulfanyl-N-(thiophen-2-ylmethyl)benzamide

N-cyclopropyl-3-sulfanyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 107024795) has the molecular formula C15H15NOS2 and a molecular weight of 289.43 g/mol. Its IUPAC name is N-cyclopropyl-3-sulfanyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-sulfanyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID107024795
Molecular FormulaC15H15NOS2
Molecular Weight289.43 g/mol
Exact Mass289.06
IUPAC NameN-cyclopropyl-3-sulfanyl-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(c1cccc(S)c1)N(Cc1cccs1)C1CC1
InChIInChI=1S/C15H15NOS2/c17-15(11-3-1-4-13(18)9-11)16(12-6-7-12)10-14-5-2-8-19-14/h1-5,8-9,12,18H,6-7,10H2
InChIKeyKTYPRBIZXIHNPE-UHFFFAOYSA-N
XLogP3.84
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 51889465
3-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 37484481
N-cyclopropyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 47024128
3-amino-4-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 61107791
N-cyclopropyl-N-ethyl-3-sulfanylbenzamide
CID 107022345
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 90610702
N-cyclopropyl-3,4-dipropoxy-N-(thiophen-2-ylmethyl)benzamide
CID 55581078
N-cyclopropyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 62242780
3-amino-N-cyclopropyl-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 61106307
N-cyclopropyl-4-methyl-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)benzamide
CID 37484000
N-cyclopropyl-3-[(2-oxopyrrolidin-1-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 55581710
N-cyclopropyl-6-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-carboxamide
CID 56811644

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-sulfanyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of N-cyclopropyl-3-sulfanyl-N-(thiophen-2-ylmethyl)benzamide (CID 107024795) is N-cyclopropyl-3-sulfanyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-3-sulfanyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for N-cyclopropyl-3-sulfanyl-N-(thiophen-2-ylmethyl)benzamide is O=C(c1cccc(S)c1)N(Cc1cccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-3-sulfanyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is KTYPRBIZXIHNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS2/c17-15(11-3-1-4-13(18)9-11)16(12-6-7-12)10-14-5-2-8-19-14/h1-5,8-9,12,18H,6-7,10H2.
What are the key properties of N-cyclopropyl-3-sulfanyl-N-(thiophen-2-ylmethyl)benzamide?
N-cyclopropyl-3-sulfanyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 289.43 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-sulfanyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 107024795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).