N-tert-butyl-3-(4-chloro-N-methylsulfonylanilino)propanamide

C14H21ClN2O3S — CID 113143904

IUPACN-tert-butyl-3-(4-chloro-N-methylsulfonylanilino)propanamide
SMILESCC(C)(C)NC(=O)CCN(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C14H21ClN2O3S/c1-14(2,3)16-13(18)9-10-17(21(4,19)20)12-7-5-11(15)6-8-12/h5-8H,9-10H2,1-4H3,(H,16,18)
InChIKeyIGFRAGQOEQBXND-UHFFFAOYSA-N
MW332.85 g/mol
LogP2.41
Rot. Bonds5

About N-tert-butyl-3-(4-chloro-N-methylsulfonylanilino)propanamide

N-tert-butyl-3-(4-chloro-N-methylsulfonylanilino)propanamide (PubChem CID 113143904) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is N-tert-butyl-3-(4-chloro-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(4-chloro-N-methylsulfonylanilino)propanamide
PubChem CID113143904
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC NameN-tert-butyl-3-(4-chloro-N-methylsulfonylanilino)propanamide
SMILESCC(C)(C)NC(=O)CCN(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C14H21ClN2O3S/c1-14(2,3)16-13(18)9-10-17(21(4,19)20)12-7-5-11(15)6-8-12/h5-8H,9-10H2,1-4H3,(H,16,18)
InChIKeyIGFRAGQOEQBXND-UHFFFAOYSA-N
XLogP2.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-(2-chloro-N-methylsulfonylanilino)propanamide
CID 113143702
3-(4-chloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113143874
N-butan-2-yl-3-(4-chloro-N-methylsulfonylanilino)propanamide
CID 113143863
3-(3-bromo-N-methylsulfonylanilino)-N-tert-butylpropanamide
CID 113146057
3-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
CID 113143927
N-tert-butyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142055
3-(4-chloro-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113143922
N-tert-butyl-3-(2-methyl-N-methylsulfonylanilino)propanamide
CID 113141646
N-[(4-chlorophenyl)methyl]-3-(N-methylsulfonylanilino)propanamide
CID 113141459
N-tert-butyl-4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanamide
CID 53280894
N-tert-butyl-3-(2-ethyl-N-methylsulfonylanilino)propanamide
CID 113142715
N-(3-acetylphenyl)-3-(4-chloro-N-methylsulfonylanilino)propanamide
CID 113143944

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(4-chloro-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-tert-butyl-3-(4-chloro-N-methylsulfonylanilino)propanamide (CID 113143904) is N-tert-butyl-3-(4-chloro-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-tert-butyl-3-(4-chloro-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-tert-butyl-3-(4-chloro-N-methylsulfonylanilino)propanamide is CC(C)(C)NC(=O)CCN(c1ccc(Cl)cc1)S(C)(=O)=O.
What is the InChIKey of N-tert-butyl-3-(4-chloro-N-methylsulfonylanilino)propanamide?
The InChIKey is IGFRAGQOEQBXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-14(2,3)16-13(18)9-10-17(21(4,19)20)12-7-5-11(15)6-8-12/h5-8H,9-10H2,1-4H3,(H,16,18).
What are the key properties of N-tert-butyl-3-(4-chloro-N-methylsulfonylanilino)propanamide?
N-tert-butyl-3-(4-chloro-N-methylsulfonylanilino)propanamide has a molecular weight of 332.85 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(4-chloro-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113143904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).