2-[(2-chloro-5-sulfanylbenzoyl)amino]ethyl carbamate

C10H11ClN2O3S — CID 107034131

IUPAC2-[(2-chloro-5-sulfanylbenzoyl)amino]ethyl carbamate
SMILESNC(=O)OCCNC(=O)c1cc(S)ccc1Cl
InChIInChI=1S/C10H11ClN2O3S/c11-8-2-1-6(17)5-7(8)9(14)13-3-4-16-10(12)15/h1-2,5,17H,3-4H2,(H2,12,15)(H,13,14)
InChIKeyJFFVCIISSIFVMY-UHFFFAOYSA-N
MW274.73 g/mol
LogP1.45
Rot. Bonds4

About 2-[(2-chloro-5-sulfanylbenzoyl)amino]ethyl carbamate

2-[(2-chloro-5-sulfanylbenzoyl)amino]ethyl carbamate (PubChem CID 107034131) has the molecular formula C10H11ClN2O3S and a molecular weight of 274.73 g/mol. Its IUPAC name is 2-[(2-chloro-5-sulfanylbenzoyl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(2-chloro-5-sulfanylbenzoyl)amino]ethyl carbamate
PubChem CID107034131
Molecular FormulaC10H11ClN2O3S
Molecular Weight274.73 g/mol
Exact Mass274.02
IUPAC Name2-[(2-chloro-5-sulfanylbenzoyl)amino]ethyl carbamate
SMILESNC(=O)OCCNC(=O)c1cc(S)ccc1Cl
InChIInChI=1S/C10H11ClN2O3S/c11-8-2-1-6(17)5-7(8)9(14)13-3-4-16-10(12)15/h1-2,5,17H,3-4H2,(H2,12,15)(H,13,14)
InChIKeyJFFVCIISSIFVMY-UHFFFAOYSA-N
XLogP1.45
TPSA81.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(2-hydroxyethoxy)ethyl]-5-sulfanylbenzamide
CID 107028417
2-chloro-N-(2-fluoroethyl)-5-sulfanylbenzamide
CID 130505013
2-chloro-N-[2-(3-methylbutoxy)ethyl]-5-sulfanylbenzamide
CID 107027369
2-chloro-N-(3-phenoxypropyl)-5-sulfanylbenzamide
CID 107028301
2-[(4-bromo-2-sulfanylbenzoyl)amino]ethyl carbamate
CID 107034137
2-chloro-N-[4-(dimethylamino)butyl]-5-sulfanylbenzamide
CID 107027522
N-(2-methoxyethyl)-2-methyl-5-sulfanylbenzamide
CID 107019480
2-chloro-5-sulfanyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107021740
2-[(2-amino-5-bromobenzoyl)amino]ethyl carbamate
CID 83203569
2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-sulfanylbenzamide
CID 107029727
2-chloro-N-[2-(cyclopenten-1-yl)ethyl]-5-sulfanylbenzamide
CID 114153831
2-[(4-bromo-2-fluorobenzoyl)amino]ethyl carbamate
CID 83204466

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-sulfanylbenzoyl)amino]ethyl carbamate?
The IUPAC name of 2-[(2-chloro-5-sulfanylbenzoyl)amino]ethyl carbamate (CID 107034131) is 2-[(2-chloro-5-sulfanylbenzoyl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(2-chloro-5-sulfanylbenzoyl)amino]ethyl carbamate?
The canonical SMILES for 2-[(2-chloro-5-sulfanylbenzoyl)amino]ethyl carbamate is NC(=O)OCCNC(=O)c1cc(S)ccc1Cl.
What is the InChIKey of 2-[(2-chloro-5-sulfanylbenzoyl)amino]ethyl carbamate?
The InChIKey is JFFVCIISSIFVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3S/c11-8-2-1-6(17)5-7(8)9(14)13-3-4-16-10(12)15/h1-2,5,17H,3-4H2,(H2,12,15)(H,13,14).
What are the key properties of 2-[(2-chloro-5-sulfanylbenzoyl)amino]ethyl carbamate?
2-[(2-chloro-5-sulfanylbenzoyl)amino]ethyl carbamate has a molecular weight of 274.73 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-sulfanylbenzoyl)amino]ethyl carbamate is sourced from PubChem (CID 107034131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).