N-(5-amino-2-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

C19H25N3O3S — CID 120569314

IUPACN-(5-amino-2-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(S(=O)(=O)NCCC(=O)Nc2cc(N)ccc2C)c(C)c1
InChIInChI=1S/C19H25N3O3S/c1-12-9-14(3)19(15(4)10-12)26(24,25)21-8-7-18(23)22-17-11-16(20)6-5-13(17)2/h5-6,9-11,21H,7-8,20H2,1-4H3,(H,22,23)
InChIKeyVBABAVNQTISBKS-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.81
Rot. Bonds6

About N-(5-amino-2-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

N-(5-amino-2-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (PubChem CID 120569314) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
PubChem CID120569314
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-(5-amino-2-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(S(=O)(=O)NCCC(=O)Nc2cc(N)ccc2C)c(C)c1
InChIInChI=1S/C19H25N3O3S/c1-12-9-14(3)19(15(4)10-12)26(24,25)21-8-7-18(23)22-17-11-16(20)6-5-13(17)2/h5-6,9-11,21H,7-8,20H2,1-4H3,(H,22,23)
InChIKeyVBABAVNQTISBKS-UHFFFAOYSA-N
XLogP2.81
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 51166424
N-(2-amino-5-methoxyphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 119420945
N-(4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26577512
N-(2-fluorophenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26584303
N-(4-bromo-2-hydroxyphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 60513132
N-(2,4-dimethoxyphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 27253650
N-(4-ethoxyphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26561482
N-(5-amino-2-methylphenyl)-2-propan-2-ylsulfonylacetamide
CID 60883875
N-(1-amino-2-methylpropan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride
CID 119522413
N-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide
CID 35021070
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26046308
N-(5-amino-2-methylphenyl)-4,4-dimethylpentanamide;hydrochloride
CID 120569223

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (CID 120569314) is N-(5-amino-2-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is Cc1cc(C)c(S(=O)(=O)NCCC(=O)Nc2cc(N)ccc2C)c(C)c1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The InChIKey is VBABAVNQTISBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-12-9-14(3)19(15(4)10-12)26(24,25)21-8-7-18(23)22-17-11-16(20)6-5-13(17)2/h5-6,9-11,21H,7-8,20H2,1-4H3,(H,22,23).
What are the key properties of N-(5-amino-2-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
N-(5-amino-2-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide has a molecular weight of 375.49 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 120569314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).