3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide

C22H30N2O4S — CID 38503560

IUPAC3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCC(=O)NCCc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C22H30N2O4S/c1-16(2)28-20-9-7-19(8-10-20)11-13-23-22(25)12-14-24-29(26,27)21-15-17(3)5-6-18(21)4/h5-10,15-16,24H,11-14H2,1-4H3,(H,23,25)
InChIKeyHERGMQIVSGHFQR-UHFFFAOYSA-N
MW418.56 g/mol
LogP3.12
Rot. Bonds10

About 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide

3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide (PubChem CID 38503560) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
PubChem CID38503560
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCC(=O)NCCc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C22H30N2O4S/c1-16(2)28-20-9-7-19(8-10-20)11-13-23-22(25)12-14-24-29(26,27)21-15-17(3)5-6-18(21)4/h5-10,15-16,24H,11-14H2,1-4H3,(H,23,25)
InChIKeyHERGMQIVSGHFQR-UHFFFAOYSA-N
XLogP3.12
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 35509180
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 24637071
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 7478808
N-[2-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyanilino)propanamide
CID 109025818
N-[(2,4-dimethylphenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 46587654
N-[2-(benzenesulfonyl)ethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 55734058
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 108574288
3-(3,4-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 33155420
3-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)propanamide
CID 78783386
N-[(3-chlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 7478439
N-(3-butoxypropyl)-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide
CID 55349463
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24538291

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide?
The IUPAC name of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide (CID 38503560) is 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide is Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NCCc2ccc(OC(C)C)cc2)c1.
What is the InChIKey of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide?
The InChIKey is HERGMQIVSGHFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-16(2)28-20-9-7-19(8-10-20)11-13-23-22(25)12-14-24-29(26,27)21-15-17(3)5-6-18(21)4/h5-10,15-16,24H,11-14H2,1-4H3,(H,23,25).
What are the key properties of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide?
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide has a molecular weight of 418.56 g/mol, XLogP of 3.12, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide is sourced from PubChem (CID 38503560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).