N-(benzenesulfonyl)-5-methyl-4-[(4-phenylanilino)methyl]furan-2-carboxamide

C25H22N2O4S — CID 18444630

IUPACN-(benzenesulfonyl)-5-methyl-4-[(4-phenylanilino)methyl]furan-2-carboxamide
SMILESCc1oc(C(=O)NS(=O)(=O)c2ccccc2)cc1CNc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H22N2O4S/c1-18-21(17-26-22-14-12-20(13-15-22)19-8-4-2-5-9-19)16-24(31-18)25(28)27-32(29,30)23-10-6-3-7-11-23/h2-16,26H,17H2,1H3,(H,27,28)
InChIKeyVLJJNADNXAIQND-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.99
Rot. Bonds7

About N-(benzenesulfonyl)-5-methyl-4-[(4-phenylanilino)methyl]furan-2-carboxamide

N-(benzenesulfonyl)-5-methyl-4-[(4-phenylanilino)methyl]furan-2-carboxamide (PubChem CID 18444630) has the molecular formula C25H22N2O4S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-(benzenesulfonyl)-5-methyl-4-[(4-phenylanilino)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-5-methyl-4-[(4-phenylanilino)methyl]furan-2-carboxamide
PubChem CID18444630
Molecular FormulaC25H22N2O4S
Molecular Weight446.53 g/mol
Exact Mass446.13
IUPAC NameN-(benzenesulfonyl)-5-methyl-4-[(4-phenylanilino)methyl]furan-2-carboxamide
SMILESCc1oc(C(=O)NS(=O)(=O)c2ccccc2)cc1CNc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H22N2O4S/c1-18-21(17-26-22-14-12-20(13-15-22)19-8-4-2-5-9-19)16-24(31-18)25(28)27-32(29,30)23-10-6-3-7-11-23/h2-16,26H,17H2,1H3,(H,27,28)
InChIKeyVLJJNADNXAIQND-UHFFFAOYSA-N
XLogP4.99
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-({4'-[(1-Benzofuran-2-ylcarbonyl)amino]-1,1'-biphenyl-4-YL}sulfonyl)-L-valine
CID 6852146
Biphenylsulfonamide carboxylate, 20
CID 24901485
N-(4-[(4'-Difluoromethoxy-biphenyl-4-ylamino)-methyl]-5-methyl-furan-2-carbonyl)-2-methyl-benzenesulphonamide
CID 18444619
(S)-2-{4''-[(Benzofuran-2-carbonyl)-amino]-biphenyl-4-sulfonylamino}-succinamic acid
CID 11168103
(S)-2-{4''-[(Benzofuran-2-carbonyl)-amino]-biphenyl-4-sulfonylamino}-4-methyl-pentanoic acid
CID 11179683
N-({4'-[(1-benzofuran-2-ylcarbonyl)amino]-1,1'-biphenyl-4-yl}sulfonyl)glycine
CID 11419551
N-[4-(biphenyl-4-ylaminomethyl)-5-methyl-furan-2-carbonyl]-2-methyl-benzenesulphonamide
CID 18444629
(S)-3-Methyl-2-{4''-[(3-methyl-benzofuran-2-carbonyl)-amino]-biphenyl-4-sulfonylamino}-butyric acid
CID 44404484
(S)-2-{4''-[(3-Ethyl-benzofuran-2-carbonyl)-amino]-biphenyl-4-sulfonylamino}-3-methyl-butyric acid
CID 44404490
(R)-3-Methyl-2-{4''-[(3-methyl-benzofuran-2-carbonyl)-amino]-biphenyl-4-sulfonylamino}-butyric acid
CID 44404500
2-[[4-[4-(1-Benzofuran-2-carbonylamino)phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid
CID 59788426
N-([1,1'-Biphenyl]-2-ylsulfonyl)-6-(dimethylamino)-2-benzofurancarboxamide
CID 155244935

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-5-methyl-4-[(4-phenylanilino)methyl]furan-2-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-5-methyl-4-[(4-phenylanilino)methyl]furan-2-carboxamide (CID 18444630) is N-(benzenesulfonyl)-5-methyl-4-[(4-phenylanilino)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-5-methyl-4-[(4-phenylanilino)methyl]furan-2-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-5-methyl-4-[(4-phenylanilino)methyl]furan-2-carboxamide is Cc1oc(C(=O)NS(=O)(=O)c2ccccc2)cc1CNc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(benzenesulfonyl)-5-methyl-4-[(4-phenylanilino)methyl]furan-2-carboxamide?
The InChIKey is VLJJNADNXAIQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4S/c1-18-21(17-26-22-14-12-20(13-15-22)19-8-4-2-5-9-19)16-24(31-18)25(28)27-32(29,30)23-10-6-3-7-11-23/h2-16,26H,17H2,1H3,(H,27,28).
What are the key properties of N-(benzenesulfonyl)-5-methyl-4-[(4-phenylanilino)methyl]furan-2-carboxamide?
N-(benzenesulfonyl)-5-methyl-4-[(4-phenylanilino)methyl]furan-2-carboxamide has a molecular weight of 446.53 g/mol, XLogP of 4.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-5-methyl-4-[(4-phenylanilino)methyl]furan-2-carboxamide is sourced from PubChem (CID 18444630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).