1-[2-[[butyl(methyl)sulfamoyl]amino]-1-(diethylamino)ethyl]-3-methoxybenzene

C18H33N3O3S — CID 55681602

IUPAC1-[2-[[butyl(methyl)sulfamoyl]amino]-1-(diethylamino)ethyl]-3-methoxybenzene
SMILESCCCCN(C)S(=O)(=O)NCC(c1cccc(OC)c1)N(CC)CC
InChIInChI=1S/C18H33N3O3S/c1-6-9-13-20(4)25(22,23)19-15-18(21(7-2)8-3)16-11-10-12-17(14-16)24-5/h10-12,14,18-19H,6-9,13,15H2,1-5H3
InChIKeyDHJCIDCOQXCUKZ-UHFFFAOYSA-N
MW371.55 g/mol
LogP2.64
Rot. Bonds12

About 1-[2-[[butyl(methyl)sulfamoyl]amino]-1-(diethylamino)ethyl]-3-methoxybenzene

1-[2-[[butyl(methyl)sulfamoyl]amino]-1-(diethylamino)ethyl]-3-methoxybenzene (PubChem CID 55681602) has the molecular formula C18H33N3O3S and a molecular weight of 371.55 g/mol. Its IUPAC name is 1-[2-[[butyl(methyl)sulfamoyl]amino]-1-(diethylamino)ethyl]-3-methoxybenzene.

Molecular Properties

Compound Name1-[2-[[butyl(methyl)sulfamoyl]amino]-1-(diethylamino)ethyl]-3-methoxybenzene
PubChem CID55681602
Molecular FormulaC18H33N3O3S
Molecular Weight371.55 g/mol
Exact Mass371.22
IUPAC Name1-[2-[[butyl(methyl)sulfamoyl]amino]-1-(diethylamino)ethyl]-3-methoxybenzene
SMILESCCCCN(C)S(=O)(=O)NCC(c1cccc(OC)c1)N(CC)CC
InChIInChI=1S/C18H33N3O3S/c1-6-9-13-20(4)25(22,23)19-15-18(21(7-2)8-3)16-11-10-12-17(14-16)24-5/h10-12,14,18-19H,6-9,13,15H2,1-5H3
InChIKeyDHJCIDCOQXCUKZ-UHFFFAOYSA-N
XLogP2.64
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propane-1-sulfonamide
CID 47387137
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 134032738
N-butyl-3-(3-methoxyphenyl)-N-methylbutanamide
CID 110675714
(1S)-N,N-diethyl-1-(3-methoxyphenyl)ethane-1,2-diamine
CID 9450069
2-chloro-N,N-diethyl-1-(3-methoxyphenyl)ethanamine
CID 112508549
1-[2-[ethylsulfamoyl(methyl)amino]-1-hydroxyethyl]-3-methoxybenzene
CID 110629589
N-[2-(diethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110620333
1-methoxy-3-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]benzene
CID 106087668
N-butyl-N-[ethyl-[1-(3-methoxyphenyl)ethyl]sulfamoyl]butan-1-amine
CID 55905708
1-[[2-ethylbutylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene
CID 115613403
N'-ethyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 43177837
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(4-sulfamoylphenyl)acetamide
CID 56538689

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[butyl(methyl)sulfamoyl]amino]-1-(diethylamino)ethyl]-3-methoxybenzene?
The IUPAC name of 1-[2-[[butyl(methyl)sulfamoyl]amino]-1-(diethylamino)ethyl]-3-methoxybenzene (CID 55681602) is 1-[2-[[butyl(methyl)sulfamoyl]amino]-1-(diethylamino)ethyl]-3-methoxybenzene.
What is the SMILES notation for 1-[2-[[butyl(methyl)sulfamoyl]amino]-1-(diethylamino)ethyl]-3-methoxybenzene?
The canonical SMILES for 1-[2-[[butyl(methyl)sulfamoyl]amino]-1-(diethylamino)ethyl]-3-methoxybenzene is CCCCN(C)S(=O)(=O)NCC(c1cccc(OC)c1)N(CC)CC.
What is the InChIKey of 1-[2-[[butyl(methyl)sulfamoyl]amino]-1-(diethylamino)ethyl]-3-methoxybenzene?
The InChIKey is DHJCIDCOQXCUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3S/c1-6-9-13-20(4)25(22,23)19-15-18(21(7-2)8-3)16-11-10-12-17(14-16)24-5/h10-12,14,18-19H,6-9,13,15H2,1-5H3.
What are the key properties of 1-[2-[[butyl(methyl)sulfamoyl]amino]-1-(diethylamino)ethyl]-3-methoxybenzene?
1-[2-[[butyl(methyl)sulfamoyl]amino]-1-(diethylamino)ethyl]-3-methoxybenzene has a molecular weight of 371.55 g/mol, XLogP of 2.64, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[butyl(methyl)sulfamoyl]amino]-1-(diethylamino)ethyl]-3-methoxybenzene is sourced from PubChem (CID 55681602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).