2-(carbamoylamino)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide

C18H22N4O6S — CID 18208108

IUPAC2-(carbamoylamino)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)C(C)NC(N)=O)ccc2OC)cc1
InChIInChI=1S/C18H22N4O6S/c1-11(20-18(19)24)17(23)21-13-6-9-15(28-3)16(10-13)29(25,26)22-12-4-7-14(27-2)8-5-12/h4-11,22H,1-3H3,(H,21,23)(H3,19,20,24)
InChIKeyVWJBRSVYWUCKNL-UHFFFAOYSA-N
MW422.46 g/mol
LogP1.50
Rot. Bonds8

About 2-(carbamoylamino)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide

2-(carbamoylamino)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide (PubChem CID 18208108) has the molecular formula C18H22N4O6S and a molecular weight of 422.46 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
PubChem CID18208108
Molecular FormulaC18H22N4O6S
Molecular Weight422.46 g/mol
Exact Mass422.13
IUPAC Name2-(carbamoylamino)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)C(C)NC(N)=O)ccc2OC)cc1
InChIInChI=1S/C18H22N4O6S/c1-11(20-18(19)24)17(23)21-13-6-9-15(28-3)16(10-13)29(25,26)22-12-4-7-14(27-2)8-5-12/h4-11,22H,1-3H3,(H,21,23)(H3,19,20,24)
InChIKeyVWJBRSVYWUCKNL-UHFFFAOYSA-N
XLogP1.50
TPSA148.85 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]propanamide
CID 24634722
2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylbutanamide
CID 3383117
N-(3,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 3918637
N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-methylsulfanylacetamide
CID 4788054
2-ethoxy-N-[(2S)-1-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]anilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 98396274
(2R)-N-[3-[(4-bromophenyl)sulfamoyl]-4-chlorophenyl]-2-(carbamoylamino)propanamide
CID 41094177
3,5-difluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 26851473
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide
CID 3106646
N-[4-[(5-bromo-2-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965710
3-ethylsulfanyl-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 55790257
3-fluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 26851586
1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-3-methylurea
CID 46518710

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide?
The IUPAC name of 2-(carbamoylamino)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide (CID 18208108) is 2-(carbamoylamino)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for 2-(carbamoylamino)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide is COc1ccc(NS(=O)(=O)c2cc(NC(=O)C(C)NC(N)=O)ccc2OC)cc1.
What is the InChIKey of 2-(carbamoylamino)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide?
The InChIKey is VWJBRSVYWUCKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O6S/c1-11(20-18(19)24)17(23)21-13-6-9-15(28-3)16(10-13)29(25,26)22-12-4-7-14(27-2)8-5-12/h4-11,22H,1-3H3,(H,21,23)(H3,19,20,24).
What are the key properties of 2-(carbamoylamino)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide?
2-(carbamoylamino)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide has a molecular weight of 422.46 g/mol, XLogP of 1.50, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 18208108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).