(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]propanamide

C21H29N5O5S — CID 55980982

IUPAC(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2(c3noc(C)n3)CCCCCC2)cc1
InChIInChI=1S/C21H29N5O5S/c1-14(26-32(29,30)18-10-8-17(9-11-18)22-15(2)27)19(28)24-21(12-6-4-5-7-13-21)20-23-16(3)31-25-20/h8-11,14,26H,4-7,12-13H2,1-3H3,(H,22,27)(H,24,28)/t14-/m0/s1
InChIKeyFKPDJKGSBUOYHP-AWEZNQCLSA-N
MW463.56 g/mol
LogP2.37
Rot. Bonds7

About (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]propanamide

(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]propanamide (PubChem CID 55980982) has the molecular formula C21H29N5O5S and a molecular weight of 463.56 g/mol. Its IUPAC name is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]propanamide
PubChem CID55980982
Molecular FormulaC21H29N5O5S
Molecular Weight463.56 g/mol
Exact Mass463.19
IUPAC Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2(c3noc(C)n3)CCCCCC2)cc1
InChIInChI=1S/C21H29N5O5S/c1-14(26-32(29,30)18-10-8-17(9-11-18)22-15(2)27)19(28)24-21(12-6-4-5-7-13-21)20-23-16(3)31-25-20/h8-11,14,26H,4-7,12-13H2,1-3H3,(H,22,27)(H,24,28)/t14-/m0/s1
InChIKeyFKPDJKGSBUOYHP-AWEZNQCLSA-N
XLogP2.37
TPSA143.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 55622088
N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 5125131
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide
CID 60559986
(2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 2100165
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 103598328
N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide
CID 4240198
2-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 55520393
3-(4-methoxyphenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]butanamide
CID 139009627
2-[(4-acetamidophenyl)sulfonylamino]propanoic acid
CID 3393223
4-iodo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]benzamide
CID 55622264
2-[2-[(4-acetamidophenyl)sulfonylamino]propanoylamino]propanoic acid
CID 119224998
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-methylsulfonylbenzamide
CID 55528264

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]propanamide?
The IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]propanamide (CID 55980982) is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]propanamide.
What is the SMILES notation for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]propanamide?
The canonical SMILES for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]propanamide is CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2(c3noc(C)n3)CCCCCC2)cc1.
What is the InChIKey of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]propanamide?
The InChIKey is FKPDJKGSBUOYHP-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H29N5O5S/c1-14(26-32(29,30)18-10-8-17(9-11-18)22-15(2)27)19(28)24-21(12-6-4-5-7-13-21)20-23-16(3)31-25-20/h8-11,14,26H,4-7,12-13H2,1-3H3,(H,22,27)(H,24,28)/t14-/m0/s1.
What are the key properties of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]propanamide?
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]propanamide has a molecular weight of 463.56 g/mol, XLogP of 2.37, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]propanamide is sourced from PubChem (CID 55980982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).