N-butyl-N-[ethyl-[1-(3-methoxyphenyl)ethyl]sulfamoyl]butan-1-amine

C19H34N2O3S — CID 55905708

IUPACN-butyl-N-[ethyl-[1-(3-methoxyphenyl)ethyl]sulfamoyl]butan-1-amine
SMILESCCCCN(CCCC)S(=O)(=O)N(CC)C(C)c1cccc(OC)c1
InChIInChI=1S/C19H34N2O3S/c1-6-9-14-20(15-10-7-2)25(22,23)21(8-3)17(4)18-12-11-13-19(16-18)24-5/h11-13,16-17H,6-10,14-15H2,1-5H3
InChIKeyBBRLWCJWLKTJHF-UHFFFAOYSA-N
MW370.56 g/mol
LogP4.23
Rot. Bonds12

About N-butyl-N-[ethyl-[1-(3-methoxyphenyl)ethyl]sulfamoyl]butan-1-amine

N-butyl-N-[ethyl-[1-(3-methoxyphenyl)ethyl]sulfamoyl]butan-1-amine (PubChem CID 55905708) has the molecular formula C19H34N2O3S and a molecular weight of 370.56 g/mol. Its IUPAC name is N-butyl-N-[ethyl-[1-(3-methoxyphenyl)ethyl]sulfamoyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[ethyl-[1-(3-methoxyphenyl)ethyl]sulfamoyl]butan-1-amine
PubChem CID55905708
Molecular FormulaC19H34N2O3S
Molecular Weight370.56 g/mol
Exact Mass370.23
IUPAC NameN-butyl-N-[ethyl-[1-(3-methoxyphenyl)ethyl]sulfamoyl]butan-1-amine
SMILESCCCCN(CCCC)S(=O)(=O)N(CC)C(C)c1cccc(OC)c1
InChIInChI=1S/C19H34N2O3S/c1-6-9-14-20(15-10-7-2)25(22,23)21(8-3)17(4)18-12-11-13-19(16-18)24-5/h11-13,16-17H,6-10,14-15H2,1-5H3
InChIKeyBBRLWCJWLKTJHF-UHFFFAOYSA-N
XLogP4.23
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-3-(3-methoxyphenyl)-N-methylbutanamide
CID 110675714
N-[1-(3-methoxyphenyl)ethyl]butane-1-sulfonamide
CID 22201304
1-[2-[[butyl(methyl)sulfamoyl]amino]-1-(diethylamino)ethyl]-3-methoxybenzene
CID 55681602
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 55905966
2-amino-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride
CID 119295043
2-ethylsulfonyl-1-(3-methoxyphenyl)propan-1-amine
CID 82360005
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
N-ethyl-1-ethylsulfonyl-N-[1-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 75807755
N-[(1R)-1-(3-methoxyphenyl)ethyl]ethanesulfonamide
CID 74229134
N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-2-amine
CID 81376303
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzamide
CID 55591908
N-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 52574182

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[ethyl-[1-(3-methoxyphenyl)ethyl]sulfamoyl]butan-1-amine?
The IUPAC name of N-butyl-N-[ethyl-[1-(3-methoxyphenyl)ethyl]sulfamoyl]butan-1-amine (CID 55905708) is N-butyl-N-[ethyl-[1-(3-methoxyphenyl)ethyl]sulfamoyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[ethyl-[1-(3-methoxyphenyl)ethyl]sulfamoyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[ethyl-[1-(3-methoxyphenyl)ethyl]sulfamoyl]butan-1-amine is CCCCN(CCCC)S(=O)(=O)N(CC)C(C)c1cccc(OC)c1.
What is the InChIKey of N-butyl-N-[ethyl-[1-(3-methoxyphenyl)ethyl]sulfamoyl]butan-1-amine?
The InChIKey is BBRLWCJWLKTJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O3S/c1-6-9-14-20(15-10-7-2)25(22,23)21(8-3)17(4)18-12-11-13-19(16-18)24-5/h11-13,16-17H,6-10,14-15H2,1-5H3.
What are the key properties of N-butyl-N-[ethyl-[1-(3-methoxyphenyl)ethyl]sulfamoyl]butan-1-amine?
N-butyl-N-[ethyl-[1-(3-methoxyphenyl)ethyl]sulfamoyl]butan-1-amine has a molecular weight of 370.56 g/mol, XLogP of 4.23, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[ethyl-[1-(3-methoxyphenyl)ethyl]sulfamoyl]butan-1-amine is sourced from PubChem (CID 55905708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).