3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide

C16H19ClN2O4S — CID 113144050

IUPAC3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide
SMILESCc1ccc(Cl)cc1N(CCC(=O)NCc1ccco1)S(C)(=O)=O
InChIInChI=1S/C16H19ClN2O4S/c1-12-5-6-13(17)10-15(12)19(24(2,21)22)8-7-16(20)18-11-14-4-3-9-23-14/h3-6,9-10H,7-8,11H2,1-2H3,(H,18,20)
InChIKeyRQLOVZROIZEVQP-UHFFFAOYSA-N
MW370.86 g/mol
LogP2.71
Rot. Bonds7

About 3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide

3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide (PubChem CID 113144050) has the molecular formula C16H19ClN2O4S and a molecular weight of 370.86 g/mol. Its IUPAC name is 3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide
PubChem CID113144050
Molecular FormulaC16H19ClN2O4S
Molecular Weight370.86 g/mol
Exact Mass370.08
IUPAC Name3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide
SMILESCc1ccc(Cl)cc1N(CCC(=O)NCc1ccco1)S(C)(=O)=O
InChIInChI=1S/C16H19ClN2O4S/c1-12-5-6-13(17)10-15(12)19(24(2,21)22)8-7-16(20)18-11-14-4-3-9-23-14/h3-6,9-10H,7-8,11H2,1-2H3,(H,18,20)
InChIKeyRQLOVZROIZEVQP-UHFFFAOYSA-N
XLogP2.71
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 113144052
N-(furan-2-ylmethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143143
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 1137010
3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113144057
N-(furan-2-ylmethyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide
CID 53288249
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 2973377
2-(N-acetyl-5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)acetamide
CID 113171850
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-(furan-2-ylmethylsulfanyl)propyl]acetamide
CID 30222838
4-(2-fluoro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)butanamide
CID 53287962
3-(N-acetyl-2,4-dichloroanilino)-N-(furan-2-ylmethyl)propanamide
CID 113133857
2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 113155016
N-benzyl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 1095286

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide (CID 113144050) is 3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide is Cc1ccc(Cl)cc1N(CCC(=O)NCc1ccco1)S(C)(=O)=O.
What is the InChIKey of 3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide?
The InChIKey is RQLOVZROIZEVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O4S/c1-12-5-6-13(17)10-15(12)19(24(2,21)22)8-7-16(20)18-11-14-4-3-9-23-14/h3-6,9-10H,7-8,11H2,1-2H3,(H,18,20).
What are the key properties of 3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide?
3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide has a molecular weight of 370.86 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 113144050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).