N-[3-(dimethylcarbamoyl)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide

C21H20N2O3S — CID 134046258

IUPACN-[3-(dimethylcarbamoyl)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
SMILESCN(C)C(=O)c1cccc(NC(=O)c2occc2CSc2ccccc2)c1
InChIInChI=1S/C21H20N2O3S/c1-23(2)21(25)15-7-6-8-17(13-15)22-20(24)19-16(11-12-26-19)14-27-18-9-4-3-5-10-18/h3-13H,14H2,1-2H3,(H,22,24)
InChIKeyRXOFMSIEBNTQDN-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.53
Rot. Bonds6

About N-[3-(dimethylcarbamoyl)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide

N-[3-(dimethylcarbamoyl)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide (PubChem CID 134046258) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[3-(dimethylcarbamoyl)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylcarbamoyl)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
PubChem CID134046258
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC NameN-[3-(dimethylcarbamoyl)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
SMILESCN(C)C(=O)c1cccc(NC(=O)c2occc2CSc2ccccc2)c1
InChIInChI=1S/C21H20N2O3S/c1-23(2)21(25)15-7-6-8-17(13-15)22-20(24)19-16(11-12-26-19)14-27-18-9-4-3-5-10-18/h3-13H,14H2,1-2H3,(H,22,24)
InChIKeyRXOFMSIEBNTQDN-UHFFFAOYSA-N
XLogP4.53
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[3-(phenylsulfanylmethyl)furan-2-carbonyl]amino]phenyl]pyridine-4-carboxamide
CID 78861185
N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 78891799
3-(phenylsulfanylmethyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]furan-2-carboxamide
CID 112815046
N-[[3-(methylcarbamoyl)phenyl]methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 78853234
4-[[[3-(phenylsulfanylmethyl)furan-2-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542092
N'-(2-methylpropanoyl)-3-(phenylsulfanylmethyl)furan-2-carbohydrazide
CID 78830024
N-(3-hydroxybutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 111433757
N,N-dimethyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 17231735
N-(3-aminobutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide;hydrochloride
CID 119497428
N'-(4-bromobenzoyl)-3-(phenylsulfanylmethyl)furan-2-carbohydrazide
CID 78829710
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 112803797
3-[(3-methylphenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63581820

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylcarbamoyl)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide?
The IUPAC name of N-[3-(dimethylcarbamoyl)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide (CID 134046258) is N-[3-(dimethylcarbamoyl)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylcarbamoyl)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[3-(dimethylcarbamoyl)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide is CN(C)C(=O)c1cccc(NC(=O)c2occc2CSc2ccccc2)c1.
What is the InChIKey of N-[3-(dimethylcarbamoyl)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide?
The InChIKey is RXOFMSIEBNTQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-23(2)21(25)15-7-6-8-17(13-15)22-20(24)19-16(11-12-26-19)14-27-18-9-4-3-5-10-18/h3-13H,14H2,1-2H3,(H,22,24).
What are the key properties of N-[3-(dimethylcarbamoyl)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide?
N-[3-(dimethylcarbamoyl)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylcarbamoyl)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide is sourced from PubChem (CID 134046258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).