N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-[(3R)-2-oxoazepan-3-yl]acetamide

C21H25N3O4S — CID 100694064

IUPACN-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-[(3R)-2-oxoazepan-3-yl]acetamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C[C@H]3CCCCNC3=O)cc2)cc1
InChIInChI=1S/C21H25N3O4S/c1-15-5-11-19(12-6-15)29(27,28)24-18-9-7-17(8-10-18)23-20(25)14-16-4-2-3-13-22-21(16)26/h5-12,16,24H,2-4,13-14H2,1H3,(H,22,26)(H,23,25)/t16-/m1/s1
InChIKeyKVUWHAGKNIQQHM-MRXNPFEDSA-N
MW415.52 g/mol
LogP3.04
Rot. Bonds6

About N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-[(3R)-2-oxoazepan-3-yl]acetamide

N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-[(3R)-2-oxoazepan-3-yl]acetamide (PubChem CID 100694064) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-[(3R)-2-oxoazepan-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-[(3R)-2-oxoazepan-3-yl]acetamide
PubChem CID100694064
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC NameN-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-[(3R)-2-oxoazepan-3-yl]acetamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C[C@H]3CCCCNC3=O)cc2)cc1
InChIInChI=1S/C21H25N3O4S/c1-15-5-11-19(12-6-15)29(27,28)24-18-9-7-17(8-10-18)23-20(25)14-16-4-2-3-13-22-21(16)26/h5-12,16,24H,2-4,13-14H2,1H3,(H,22,26)(H,23,25)/t16-/m1/s1
InChIKeyKVUWHAGKNIQQHM-MRXNPFEDSA-N
XLogP3.04
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-(2-oxoazepan-3-yl)acetamide
CID 119037622
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(4-methylphenyl)acetamide
CID 27228794
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)acetamide
CID 28580249
2-(4-acetamidophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 55377318
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
CID 4581682
N-(4-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 941045
3-chloro-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 94830981
(3S)-3-[(4-methylphenyl)sulfonylmethyl]piperidin-2-one
CID 160872668
trans-(1S,2S)-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 6958871
(3R)-3-[2-(4-methylphenyl)-2-oxoethyl]piperidin-2-one
CID 159856465
2-(3-methylbutylsulfanyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 60575698
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 94841476

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-[(3R)-2-oxoazepan-3-yl]acetamide?
The IUPAC name of N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-[(3R)-2-oxoazepan-3-yl]acetamide (CID 100694064) is N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-[(3R)-2-oxoazepan-3-yl]acetamide.
What is the SMILES notation for N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-[(3R)-2-oxoazepan-3-yl]acetamide?
The canonical SMILES for N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-[(3R)-2-oxoazepan-3-yl]acetamide is Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C[C@H]3CCCCNC3=O)cc2)cc1.
What is the InChIKey of N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-[(3R)-2-oxoazepan-3-yl]acetamide?
The InChIKey is KVUWHAGKNIQQHM-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-15-5-11-19(12-6-15)29(27,28)24-18-9-7-17(8-10-18)23-20(25)14-16-4-2-3-13-22-21(16)26/h5-12,16,24H,2-4,13-14H2,1H3,(H,22,26)(H,23,25)/t16-/m1/s1.
What are the key properties of N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-[(3R)-2-oxoazepan-3-yl]acetamide?
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-[(3R)-2-oxoazepan-3-yl]acetamide has a molecular weight of 415.52 g/mol, XLogP of 3.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-[(3R)-2-oxoazepan-3-yl]acetamide is sourced from PubChem (CID 100694064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).