2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(N-methylanilino)propyl]butanamide

C22H31N3O4S — CID 132670026

IUPAC2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(N-methylanilino)propyl]butanamide
SMILESCCC(C(=O)NCCCN(C)c1ccccc1)N(c1cccc(OC)c1)S(C)(=O)=O
InChIInChI=1S/C22H31N3O4S/c1-5-21(25(30(4,27)28)19-13-9-14-20(17-19)29-3)22(26)23-15-10-16-24(2)18-11-7-6-8-12-18/h6-9,11-14,17,21H,5,10,15-16H2,1-4H3,(H,23,26)
InChIKeyJLYCNVZQIAVKFR-UHFFFAOYSA-N
MW433.57 g/mol
LogP2.88
Rot. Bonds11

About 2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(N-methylanilino)propyl]butanamide

2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(N-methylanilino)propyl]butanamide (PubChem CID 132670026) has the molecular formula C22H31N3O4S and a molecular weight of 433.57 g/mol. Its IUPAC name is 2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(N-methylanilino)propyl]butanamide.

Molecular Properties

Compound Name2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(N-methylanilino)propyl]butanamide
PubChem CID132670026
Molecular FormulaC22H31N3O4S
Molecular Weight433.57 g/mol
Exact Mass433.20
IUPAC Name2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(N-methylanilino)propyl]butanamide
SMILESCCC(C(=O)NCCCN(C)c1ccccc1)N(c1cccc(OC)c1)S(C)(=O)=O
InChIInChI=1S/C22H31N3O4S/c1-5-21(25(30(4,27)28)19-13-9-14-20(17-19)29-3)22(26)23-15-10-16-24(2)18-11-7-6-8-12-18/h6-9,11-14,17,21H,5,10,15-16H2,1-4H3,(H,23,26)
InChIKeyJLYCNVZQIAVKFR-UHFFFAOYSA-N
XLogP2.88
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-chlorophenyl)propyl]-2-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 132671760
N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)butanamide
CID 133229418
N-[3-(4-fluorophenyl)propyl]-2-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 132666868
N-(2-bromophenyl)-2-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 132672273
(2S)-2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)butanamide
CID 95118832
2-(3-methoxyphenoxy)-N-[3-(N-methylanilino)propyl]propanamide
CID 132652371
N-[3-(N-methylanilino)propyl]-2-(3-methylphenoxy)butanamide
CID 132652146
N-(3,5-dichlorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 132669279
2-(3-methoxy-N-methylsulfonylanilino)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 133234955
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 133160411
N-[3-(N-methylanilino)propyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133162969
1-(3-methoxyphenyl)-3-[3-(N-methylanilino)propyl]urea
CID 51290296

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(N-methylanilino)propyl]butanamide?
The IUPAC name of 2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(N-methylanilino)propyl]butanamide (CID 132670026) is 2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(N-methylanilino)propyl]butanamide.
What is the SMILES notation for 2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(N-methylanilino)propyl]butanamide?
The canonical SMILES for 2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(N-methylanilino)propyl]butanamide is CCC(C(=O)NCCCN(C)c1ccccc1)N(c1cccc(OC)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(N-methylanilino)propyl]butanamide?
The InChIKey is JLYCNVZQIAVKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4S/c1-5-21(25(30(4,27)28)19-13-9-14-20(17-19)29-3)22(26)23-15-10-16-24(2)18-11-7-6-8-12-18/h6-9,11-14,17,21H,5,10,15-16H2,1-4H3,(H,23,26).
What are the key properties of 2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(N-methylanilino)propyl]butanamide?
2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(N-methylanilino)propyl]butanamide has a molecular weight of 433.57 g/mol, XLogP of 2.88, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(N-methylanilino)propyl]butanamide is sourced from PubChem (CID 132670026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).