2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylbutanamide

C20H26N4O5S — CID 3383117

IUPAC2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylbutanamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)C(NC(N)=O)C(C)C)ccc2C)cc1
InChIInChI=1S/C20H26N4O5S/c1-12(2)18(23-20(21)26)19(25)22-15-6-5-13(3)17(11-15)30(27,28)24-14-7-9-16(29-4)10-8-14/h5-12,18,24H,1-4H3,(H,22,25)(H3,21,23,26)
InChIKeyPSYPTSGXEOFUKM-UHFFFAOYSA-N
MW434.52 g/mol
LogP2.44
Rot. Bonds8

About 2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylbutanamide

2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylbutanamide (PubChem CID 3383117) has the molecular formula C20H26N4O5S and a molecular weight of 434.52 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylbutanamide
PubChem CID3383117
Molecular FormulaC20H26N4O5S
Molecular Weight434.52 g/mol
Exact Mass434.16
IUPAC Name2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylbutanamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)C(NC(N)=O)C(C)C)ccc2C)cc1
InChIInChI=1S/C20H26N4O5S/c1-12(2)18(23-20(21)26)19(25)22-15-6-5-13(3)17(11-15)30(27,28)24-14-7-9-16(29-4)10-8-14/h5-12,18,24H,1-4H3,(H,22,25)(H3,21,23,26)
InChIKeyPSYPTSGXEOFUKM-UHFFFAOYSA-N
XLogP2.44
TPSA139.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 52.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(carbamoylamino)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 18208108
N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-(carbamoylamino)-3-methylpentanamide
CID 24636258
(2S)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-3-methylbutanamide
CID 34977565
(2S)-2-acetamido-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-methylbutanamide
CID 26760351
2-(4-methoxyphenoxy)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
CID 26642497
4-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]-2-methylbenzamide
CID 56527365
2-ethoxy-N-[(2S)-1-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]anilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 98396274
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide
CID 51157569
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylthiophene-2-carboxamide
CID 35743328
2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]propanamide
CID 24634722
2,4-dichloro-N-[(2S)-1-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylanilino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 98399123
[4-[(4-methoxy-2-methylphenyl)sulfonylamino]phenyl]urea
CID 47062796

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylbutanamide?
The IUPAC name of 2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylbutanamide (CID 3383117) is 2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylbutanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylbutanamide?
The canonical SMILES for 2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylbutanamide is COc1ccc(NS(=O)(=O)c2cc(NC(=O)C(NC(N)=O)C(C)C)ccc2C)cc1.
What is the InChIKey of 2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylbutanamide?
The InChIKey is PSYPTSGXEOFUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O5S/c1-12(2)18(23-20(21)26)19(25)22-15-6-5-13(3)17(11-15)30(27,28)24-14-7-9-16(29-4)10-8-14/h5-12,18,24H,1-4H3,(H,22,25)(H3,21,23,26).
What are the key properties of 2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylbutanamide?
2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylbutanamide has a molecular weight of 434.52 g/mol, XLogP of 2.44, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylbutanamide is sourced from PubChem (CID 3383117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).