5-aminosulfanyl-4-chloro-2-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)benzamide;ethane

C16H22ClN3O3S — CID 143014238

IUPAC5-aminosulfanyl-4-chloro-2-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)benzamide;ethane
SMILESCC.NSc1cc(C(=O)NCCO)c(NCc2ccco2)cc1Cl
InChIInChI=1S/C14H16ClN3O3S.C2H6/c15-11-7-12(18-8-9-2-1-5-21-9)10(6-13(11)22-16)14(20)17-3-4-19;1-2/h1-2,5-7,18-19H,3-4,8,16H2,(H,17,20);1-2H3
InChIKeyYMFWRZWEFMLJKW-UHFFFAOYSA-N
MW371.89 g/mol
LogP3.26
Rot. Bonds7

About 5-aminosulfanyl-4-chloro-2-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)benzamide;ethane

5-aminosulfanyl-4-chloro-2-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)benzamide;ethane (PubChem CID 143014238) has the molecular formula C16H22ClN3O3S and a molecular weight of 371.89 g/mol. Its IUPAC name is 5-aminosulfanyl-4-chloro-2-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)benzamide;ethane.

Molecular Properties

Compound Name5-aminosulfanyl-4-chloro-2-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)benzamide;ethane
PubChem CID143014238
Molecular FormulaC16H22ClN3O3S
Molecular Weight371.89 g/mol
Exact Mass371.11
IUPAC Name5-aminosulfanyl-4-chloro-2-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)benzamide;ethane
SMILESCC.NSc1cc(C(=O)NCCO)c(NCc2ccco2)cc1Cl
InChIInChI=1S/C14H16ClN3O3S.C2H6/c15-11-7-12(18-8-9-2-1-5-21-9)10(6-13(11)22-16)14(20)17-3-4-19;1-2/h1-2,5-7,18-19H,3-4,8,16H2,(H,17,20);1-2H3
InChIKeyYMFWRZWEFMLJKW-UHFFFAOYSA-N
XLogP3.26
TPSA100.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 53.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-aminoperoxysulfanyl-4-chloro-2-(furan-2-ylmethylamino)benzoate;1-[5-aminoperoxysulfanyl-4-chloro-2-(furan-2-ylmethylamino)phenyl]ethanone
CID 91223273
4-chloro-2-(furan-2-ylmethylamino)-N-(2-piperidin-1-ylethyl)-5-sulfamoylbenzamide
CID 66628217
4-chloro-2-(furan-2-ylmethylamino)-5-morpholin-4-ylsulfanylbenzoic acid
CID 155747135
2-methoxyethyl 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate
CID 118302031
CID 68522905
CID 68522905
4-chloro-3-(furan-2-ylmethylamino)benzamide
CID 43679459
potassium;4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate;hydrochloride
CID 138402493
(1-ethoxy-1-oxopropan-2-yl) 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate
CID 155796067
methyl 5-(benzylamino)-4-chloro-2-(furan-2-ylmethylamino)benzoate
CID 71063330
4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl cyanide
CID 141273993
2,5-dichloro-N-(furan-2-ylmethyl)benzamide
CID 690467
2-chloro-4-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 134480566

Frequently Asked Questions

What is the IUPAC name of 5-aminosulfanyl-4-chloro-2-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)benzamide;ethane?
The IUPAC name of 5-aminosulfanyl-4-chloro-2-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)benzamide;ethane (CID 143014238) is 5-aminosulfanyl-4-chloro-2-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)benzamide;ethane.
What is the SMILES notation for 5-aminosulfanyl-4-chloro-2-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)benzamide;ethane?
The canonical SMILES for 5-aminosulfanyl-4-chloro-2-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)benzamide;ethane is CC.NSc1cc(C(=O)NCCO)c(NCc2ccco2)cc1Cl.
What is the InChIKey of 5-aminosulfanyl-4-chloro-2-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)benzamide;ethane?
The InChIKey is YMFWRZWEFMLJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3S.C2H6/c15-11-7-12(18-8-9-2-1-5-21-9)10(6-13(11)22-16)14(20)17-3-4-19;1-2/h1-2,5-7,18-19H,3-4,8,16H2,(H,17,20);1-2H3.
What are the key properties of 5-aminosulfanyl-4-chloro-2-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)benzamide;ethane?
5-aminosulfanyl-4-chloro-2-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)benzamide;ethane has a molecular weight of 371.89 g/mol, XLogP of 3.26, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminosulfanyl-4-chloro-2-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)benzamide;ethane is sourced from PubChem (CID 143014238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).