N-[4-[(4-methylbenzoyl)sulfinamoylamino]phenyl]furan-3-carboxamide

C19H17N3O4S — CID 40644802

IUPACN-[4-[(4-methylbenzoyl)sulfinamoylamino]phenyl]furan-3-carboxamide
SMILESCc1ccc(C(=O)N[S@@](=O)Nc2ccc(NC(=O)c3ccoc3)cc2)cc1
InChIInChI=1S/C19H17N3O4S/c1-13-2-4-14(5-3-13)19(24)22-27(25)21-17-8-6-16(7-9-17)20-18(23)15-10-11-26-12-15/h2-12,21H,1H3,(H,20,23)(H,22,24)/t27-/m0/s1
InChIKeyJCORREPVIQYCHB-MHZLTWQESA-N
MW383.43 g/mol
LogP3.26
Rot. Bonds6

About N-[4-[(4-methylbenzoyl)sulfinamoylamino]phenyl]furan-3-carboxamide

N-[4-[(4-methylbenzoyl)sulfinamoylamino]phenyl]furan-3-carboxamide (PubChem CID 40644802) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is N-[4-[(4-methylbenzoyl)sulfinamoylamino]phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-methylbenzoyl)sulfinamoylamino]phenyl]furan-3-carboxamide
PubChem CID40644802
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC NameN-[4-[(4-methylbenzoyl)sulfinamoylamino]phenyl]furan-3-carboxamide
SMILESCc1ccc(C(=O)N[S@@](=O)Nc2ccc(NC(=O)c3ccoc3)cc2)cc1
InChIInChI=1S/C19H17N3O4S/c1-13-2-4-14(5-3-13)19(24)22-27(25)21-17-8-6-16(7-9-17)20-18(23)15-10-11-26-12-15/h2-12,21H,1H3,(H,20,23)(H,22,24)/t27-/m0/s1
InChIKeyJCORREPVIQYCHB-MHZLTWQESA-N
XLogP3.26
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-benzamidophenyl)sulfinamoyl-4-methylbenzamide
CID 3477957
N-(3-methylphenyl)furan-3-carboxamide
CID 27007768
N-(4-carbamothioylphenyl)furan-3-carboxamide
CID 24704520
N-(4-cyanophenyl)furan-3-carboxamide
CID 24701301
N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide
CID 139337158
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
N-[4-(methylaminomethyl)phenyl]furan-3-carboxamide
CID 106909959
N-[4-(1,3-benzoxazol-2-yl)phenyl]sulfinamoyl-4-methylbenzamide
CID 171987601
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-3-carboxamide
CID 166215679
1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443
4-methyl-N-[4-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 2330632
4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide
CID 143832330

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylbenzoyl)sulfinamoylamino]phenyl]furan-3-carboxamide?
The IUPAC name of N-[4-[(4-methylbenzoyl)sulfinamoylamino]phenyl]furan-3-carboxamide (CID 40644802) is N-[4-[(4-methylbenzoyl)sulfinamoylamino]phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[4-[(4-methylbenzoyl)sulfinamoylamino]phenyl]furan-3-carboxamide?
The canonical SMILES for N-[4-[(4-methylbenzoyl)sulfinamoylamino]phenyl]furan-3-carboxamide is Cc1ccc(C(=O)N[S@@](=O)Nc2ccc(NC(=O)c3ccoc3)cc2)cc1.
What is the InChIKey of N-[4-[(4-methylbenzoyl)sulfinamoylamino]phenyl]furan-3-carboxamide?
The InChIKey is JCORREPVIQYCHB-MHZLTWQESA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-13-2-4-14(5-3-13)19(24)22-27(25)21-17-8-6-16(7-9-17)20-18(23)15-10-11-26-12-15/h2-12,21H,1H3,(H,20,23)(H,22,24)/t27-/m0/s1.
What are the key properties of N-[4-[(4-methylbenzoyl)sulfinamoylamino]phenyl]furan-3-carboxamide?
N-[4-[(4-methylbenzoyl)sulfinamoylamino]phenyl]furan-3-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 3.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylbenzoyl)sulfinamoylamino]phenyl]furan-3-carboxamide is sourced from PubChem (CID 40644802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).