2-chloro-N,N-bis(cyclopropylmethyl)-5-sulfanylbenzamide

C15H18ClNOS — CID 107030501

IUPAC2-chloro-N,N-bis(cyclopropylmethyl)-5-sulfanylbenzamide
SMILESO=C(c1cc(S)ccc1Cl)N(CC1CC1)CC1CC1
InChIInChI=1S/C15H18ClNOS/c16-14-6-5-12(19)7-13(14)15(18)17(8-10-1-2-10)9-11-3-4-11/h5-7,10-11,19H,1-4,8-9H2
InChIKeyTVSIGLVCYWIAPZ-UHFFFAOYSA-N
MW295.83 g/mol
LogP3.89
Rot. Bonds5

About 2-chloro-N,N-bis(cyclopropylmethyl)-5-sulfanylbenzamide

2-chloro-N,N-bis(cyclopropylmethyl)-5-sulfanylbenzamide (PubChem CID 107030501) has the molecular formula C15H18ClNOS and a molecular weight of 295.83 g/mol. Its IUPAC name is 2-chloro-N,N-bis(cyclopropylmethyl)-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N,N-bis(cyclopropylmethyl)-5-sulfanylbenzamide
PubChem CID107030501
Molecular FormulaC15H18ClNOS
Molecular Weight295.83 g/mol
Exact Mass295.08
IUPAC Name2-chloro-N,N-bis(cyclopropylmethyl)-5-sulfanylbenzamide
SMILESO=C(c1cc(S)ccc1Cl)N(CC1CC1)CC1CC1
InChIInChI=1S/C15H18ClNOS/c16-14-6-5-12(19)7-13(14)15(18)17(8-10-1-2-10)9-11-3-4-11/h5-7,10-11,19H,1-4,8-9H2
InChIKeyTVSIGLVCYWIAPZ-UHFFFAOYSA-N
XLogP3.89
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.83
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(cyclopropylmethyl)-N-prop-2-ynyl-5-sulfanylbenzamide
CID 107033410
2-chloro-N-[(4-ethylcyclohexyl)methyl]-5-sulfanylbenzamide
CID 107027247
2-bromo-N-(cyclobutylmethyl)-N-ethyl-5-sulfanylbenzamide
CID 107402633
2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-sulfanylbenzamide
CID 107026530
2-chloro-N-(2-hydroxycyclohexyl)-N-methyl-5-sulfanylbenzamide
CID 107036632
2-chloro-N-(2-hydroxyethyl)-N-prop-2-enyl-5-sulfanylbenzamide
CID 107035729
3-amino-4-chloro-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63955717
cyclopentylmethyl 2-chloro-5-sulfanylbenzoate
CID 107018905
N,N-bis(cyclopropylmethyl)-2-(4-sulfanylphenyl)acetamide
CID 107030502
2-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)-5-sulfanylbenzamide
CID 107026865
2-chloro-N-ethyl-5-sulfanyl-N-(thiophen-2-ylmethyl)benzamide
CID 107024588
2-chloro-N-[(2-hydroxycyclohexyl)methyl]-5-sulfanylbenzamide
CID 107031032

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-bis(cyclopropylmethyl)-5-sulfanylbenzamide?
The IUPAC name of 2-chloro-N,N-bis(cyclopropylmethyl)-5-sulfanylbenzamide (CID 107030501) is 2-chloro-N,N-bis(cyclopropylmethyl)-5-sulfanylbenzamide.
What is the SMILES notation for 2-chloro-N,N-bis(cyclopropylmethyl)-5-sulfanylbenzamide?
The canonical SMILES for 2-chloro-N,N-bis(cyclopropylmethyl)-5-sulfanylbenzamide is O=C(c1cc(S)ccc1Cl)N(CC1CC1)CC1CC1.
What is the InChIKey of 2-chloro-N,N-bis(cyclopropylmethyl)-5-sulfanylbenzamide?
The InChIKey is TVSIGLVCYWIAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNOS/c16-14-6-5-12(19)7-13(14)15(18)17(8-10-1-2-10)9-11-3-4-11/h5-7,10-11,19H,1-4,8-9H2.
What are the key properties of 2-chloro-N,N-bis(cyclopropylmethyl)-5-sulfanylbenzamide?
2-chloro-N,N-bis(cyclopropylmethyl)-5-sulfanylbenzamide has a molecular weight of 295.83 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-bis(cyclopropylmethyl)-5-sulfanylbenzamide is sourced from PubChem (CID 107030501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).