N-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide

C22H28N2O4S — CID 48599015

IUPACN-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)Nc2cccc(COCC3CC3)c2)cc1C
InChIInChI=1S/C22H28N2O4S/c1-16-6-9-21(12-17(16)2)29(26,27)23-11-10-22(25)24-20-5-3-4-19(13-20)15-28-14-18-7-8-18/h3-6,9,12-13,18,23H,7-8,10-11,14-15H2,1-2H3,(H,24,25)
InChIKeyVURAIPOHXPEONV-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.54
Rot. Bonds10

About N-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide

N-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide (PubChem CID 48599015) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
PubChem CID48599015
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)Nc2cccc(COCC3CC3)c2)cc1C
InChIInChI=1S/C22H28N2O4S/c1-16-6-9-21(12-17(16)2)29(26,27)23-11-10-22(25)24-20-5-3-4-19(13-20)15-28-14-18-7-8-18/h3-6,9,12-13,18,23H,7-8,10-11,14-15H2,1-2H3,(H,24,25)
InChIKeyVURAIPOHXPEONV-UHFFFAOYSA-N
XLogP3.54
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-iodo-4-methylphenyl)propanamide
CID 26890848
N-(3,4-dichlorophenyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 2402359
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 9412008
N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 46424583
1-[3-(cyclopropylmethoxymethyl)phenyl]-3-hexylurea
CID 60589978
3-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 3300002
N-[4-[3-(cyclopropylmethoxymethyl)anilino]-4-oxobutyl]thiophene-3-carboxamide
CID 48584653
2-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 112998662
N-[4-[[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]butanamide
CID 55848949
3-[(3,4-difluorophenyl)sulfonylamino]-N-[3-[(dimethylamino)methyl]phenyl]propanamide
CID 86979332
4-(4-cyano-2-methoxyphenoxy)-N-[3-(cyclopropylmethoxymethyl)phenyl]butanamide
CID 48585204
methyl 3-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]benzoate
CID 112999907

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide (CID 48599015) is N-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide is Cc1ccc(S(=O)(=O)NCCC(=O)Nc2cccc(COCC3CC3)c2)cc1C.
What is the InChIKey of N-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide?
The InChIKey is VURAIPOHXPEONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-16-6-9-21(12-17(16)2)29(26,27)23-11-10-22(25)24-20-5-3-4-19(13-20)15-28-14-18-7-8-18/h3-6,9,12-13,18,23H,7-8,10-11,14-15H2,1-2H3,(H,24,25).
What are the key properties of N-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide?
N-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide has a molecular weight of 416.54 g/mol, XLogP of 3.54, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 48599015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).