N-[1-[4-(methanesulfonamido)-3-methoxyanilino]-1-oxopropan-2-yl]cyclopentanecarboxamide

C17H25N3O5S — CID 47055132

IUPACN-[1-[4-(methanesulfonamido)-3-methoxyanilino]-1-oxopropan-2-yl]cyclopentanecarboxamide
SMILESCOc1cc(NC(=O)C(C)NC(=O)C2CCCC2)ccc1NS(C)(=O)=O
InChIInChI=1S/C17H25N3O5S/c1-11(18-17(22)12-6-4-5-7-12)16(21)19-13-8-9-14(15(10-13)25-2)20-26(3,23)24/h8-12,20H,4-7H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyHOOGEFIXGBIUCL-UHFFFAOYSA-N
MW383.47 g/mol
LogP1.70
Rot. Bonds7

About N-[1-[4-(methanesulfonamido)-3-methoxyanilino]-1-oxopropan-2-yl]cyclopentanecarboxamide

N-[1-[4-(methanesulfonamido)-3-methoxyanilino]-1-oxopropan-2-yl]cyclopentanecarboxamide (PubChem CID 47055132) has the molecular formula C17H25N3O5S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[1-[4-(methanesulfonamido)-3-methoxyanilino]-1-oxopropan-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-[4-(methanesulfonamido)-3-methoxyanilino]-1-oxopropan-2-yl]cyclopentanecarboxamide
PubChem CID47055132
Molecular FormulaC17H25N3O5S
Molecular Weight383.47 g/mol
Exact Mass383.15
IUPAC NameN-[1-[4-(methanesulfonamido)-3-methoxyanilino]-1-oxopropan-2-yl]cyclopentanecarboxamide
SMILESCOc1cc(NC(=O)C(C)NC(=O)C2CCCC2)ccc1NS(C)(=O)=O
InChIInChI=1S/C17H25N3O5S/c1-11(18-17(22)12-6-4-5-7-12)16(21)19-13-8-9-14(15(10-13)25-2)20-26(3,23)24/h8-12,20H,4-7H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyHOOGEFIXGBIUCL-UHFFFAOYSA-N
XLogP1.70
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-[4-(methanesulfonamido)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 94117942
N-[(2R)-1-[4-(methanesulfonamido)-3-methoxyanilino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 51964466
N-[4-(methanesulfonamido)-3-methoxyphenyl]piperidine-2-carboxamide;hydrochloride
CID 119282638
2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-methoxypropanamide
CID 120985632
N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 60509557
N-[(2S)-1-(3-fluoro-4-methoxyanilino)-1-oxopropan-2-yl]oxane-4-carboxamide
CID 95175589
4-butyl-N-[4-(methanesulfonamido)-3-methoxyphenyl]cyclohexane-1-carboxamide
CID 37257828
N-(4-acetamido-3-methoxyphenyl)cyclohexanecarboxamide
CID 53491142
N-[(2R)-1-anilino-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 94194364
N-[3-fluoro-4-(methanesulfonamido)phenyl]cyclohexanecarboxamide
CID 90165072
N-[1-[4-(methanesulfonamido)-3-methoxyanilino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 55618847
N-[5-[(3-amino-2-methylbutanoyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride
CID 120501094

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(methanesulfonamido)-3-methoxyanilino]-1-oxopropan-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[1-[4-(methanesulfonamido)-3-methoxyanilino]-1-oxopropan-2-yl]cyclopentanecarboxamide (CID 47055132) is N-[1-[4-(methanesulfonamido)-3-methoxyanilino]-1-oxopropan-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-[4-(methanesulfonamido)-3-methoxyanilino]-1-oxopropan-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-[4-(methanesulfonamido)-3-methoxyanilino]-1-oxopropan-2-yl]cyclopentanecarboxamide is COc1cc(NC(=O)C(C)NC(=O)C2CCCC2)ccc1NS(C)(=O)=O.
What is the InChIKey of N-[1-[4-(methanesulfonamido)-3-methoxyanilino]-1-oxopropan-2-yl]cyclopentanecarboxamide?
The InChIKey is HOOGEFIXGBIUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5S/c1-11(18-17(22)12-6-4-5-7-12)16(21)19-13-8-9-14(15(10-13)25-2)20-26(3,23)24/h8-12,20H,4-7H2,1-3H3,(H,18,22)(H,19,21).
What are the key properties of N-[1-[4-(methanesulfonamido)-3-methoxyanilino]-1-oxopropan-2-yl]cyclopentanecarboxamide?
N-[1-[4-(methanesulfonamido)-3-methoxyanilino]-1-oxopropan-2-yl]cyclopentanecarboxamide has a molecular weight of 383.47 g/mol, XLogP of 1.70, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(methanesulfonamido)-3-methoxyanilino]-1-oxopropan-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 47055132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).