4-N-[4-(methanesulfonamido)-3-propan-2-yloxyphenyl]benzene-1,4-dicarboxamide

C18H21N3O5S — CID 164620646

IUPAC4-N-[4-(methanesulfonamido)-3-propan-2-yloxyphenyl]benzene-1,4-dicarboxamide
SMILESCC(C)Oc1cc(NC(=O)c2ccc(C(N)=O)cc2)ccc1NS(C)(=O)=O
InChIInChI=1S/C18H21N3O5S/c1-11(2)26-16-10-14(8-9-15(16)21-27(3,24)25)20-18(23)13-6-4-12(5-7-13)17(19)22/h4-11,21H,1-3H3,(H2,19,22)(H,20,23)
InChIKeyIPPIQKIGNILZOC-UHFFFAOYSA-N
MW391.45 g/mol
LogP2.20
Rot. Bonds7

About 4-N-[4-(methanesulfonamido)-3-propan-2-yloxyphenyl]benzene-1,4-dicarboxamide

4-N-[4-(methanesulfonamido)-3-propan-2-yloxyphenyl]benzene-1,4-dicarboxamide (PubChem CID 164620646) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is 4-N-[4-(methanesulfonamido)-3-propan-2-yloxyphenyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[4-(methanesulfonamido)-3-propan-2-yloxyphenyl]benzene-1,4-dicarboxamide
PubChem CID164620646
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC Name4-N-[4-(methanesulfonamido)-3-propan-2-yloxyphenyl]benzene-1,4-dicarboxamide
SMILESCC(C)Oc1cc(NC(=O)c2ccc(C(N)=O)cc2)ccc1NS(C)(=O)=O
InChIInChI=1S/C18H21N3O5S/c1-11(2)26-16-10-14(8-9-15(16)21-27(3,24)25)20-18(23)13-6-4-12(5-7-13)17(19)22/h4-11,21H,1-3H3,(H2,19,22)(H,20,23)
InChIKeyIPPIQKIGNILZOC-UHFFFAOYSA-N
XLogP2.20
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[4-(methanesulfonamido)-3-phenoxyphenyl]benzene-1,4-dicarboxamide
CID 164612899
4-(difluoromethoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-methoxybenzamide
CID 37065204
4-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]benzoic acid
CID 146132998
1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 1272826
5-acetamido-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methanesulfonamido)benzamide
CID 56516233
N-(4-bromo-3-methylphenyl)-4-(methanesulfonamido)-3-methylbenzamide
CID 19062672
N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 41454864
4-amino-N-(3-chloro-4-propan-2-yloxyphenyl)benzamide
CID 43712010
4-(methanesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 958689
3-methoxy-N-(4-methyl-3-sulfamoylphenyl)-4-propan-2-yloxybenzamide
CID 46520822
4-N-(4-acetamidophenyl)benzene-1,4-dicarboxamide
CID 27648779
4-anilino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-nitrobenzamide
CID 37260133

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(methanesulfonamido)-3-propan-2-yloxyphenyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[4-(methanesulfonamido)-3-propan-2-yloxyphenyl]benzene-1,4-dicarboxamide (CID 164620646) is 4-N-[4-(methanesulfonamido)-3-propan-2-yloxyphenyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[4-(methanesulfonamido)-3-propan-2-yloxyphenyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[4-(methanesulfonamido)-3-propan-2-yloxyphenyl]benzene-1,4-dicarboxamide is CC(C)Oc1cc(NC(=O)c2ccc(C(N)=O)cc2)ccc1NS(C)(=O)=O.
What is the InChIKey of 4-N-[4-(methanesulfonamido)-3-propan-2-yloxyphenyl]benzene-1,4-dicarboxamide?
The InChIKey is IPPIQKIGNILZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-11(2)26-16-10-14(8-9-15(16)21-27(3,24)25)20-18(23)13-6-4-12(5-7-13)17(19)22/h4-11,21H,1-3H3,(H2,19,22)(H,20,23).
What are the key properties of 4-N-[4-(methanesulfonamido)-3-propan-2-yloxyphenyl]benzene-1,4-dicarboxamide?
4-N-[4-(methanesulfonamido)-3-propan-2-yloxyphenyl]benzene-1,4-dicarboxamide has a molecular weight of 391.45 g/mol, XLogP of 2.20, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(methanesulfonamido)-3-propan-2-yloxyphenyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 164620646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).