2-bromo-5-(ethylaminomethyl)-N-[(1-methoxycyclobutyl)methyl]thiophene-3-sulfonamide

C13H21BrN2O3S2 — CID 106091004

IUPAC2-bromo-5-(ethylaminomethyl)-N-[(1-methoxycyclobutyl)methyl]thiophene-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCC2(OC)CCC2)c(Br)s1
InChIInChI=1S/C13H21BrN2O3S2/c1-3-15-8-10-7-11(12(14)20-10)21(17,18)16-9-13(19-2)5-4-6-13/h7,15-16H,3-6,8-9H2,1-2H3
InChIKeyZMQDPDBCTLBDFT-UHFFFAOYSA-N
MW397.36 g/mol
LogP2.47
Rot. Bonds8

About 2-bromo-5-(ethylaminomethyl)-N-[(1-methoxycyclobutyl)methyl]thiophene-3-sulfonamide

2-bromo-5-(ethylaminomethyl)-N-[(1-methoxycyclobutyl)methyl]thiophene-3-sulfonamide (PubChem CID 106091004) has the molecular formula C13H21BrN2O3S2 and a molecular weight of 397.36 g/mol. Its IUPAC name is 2-bromo-5-(ethylaminomethyl)-N-[(1-methoxycyclobutyl)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-5-(ethylaminomethyl)-N-[(1-methoxycyclobutyl)methyl]thiophene-3-sulfonamide
PubChem CID106091004
Molecular FormulaC13H21BrN2O3S2
Molecular Weight397.36 g/mol
Exact Mass396.02
IUPAC Name2-bromo-5-(ethylaminomethyl)-N-[(1-methoxycyclobutyl)methyl]thiophene-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCC2(OC)CCC2)c(Br)s1
InChIInChI=1S/C13H21BrN2O3S2/c1-3-15-8-10-7-11(12(14)20-10)21(17,18)16-9-13(19-2)5-4-6-13/h7,15-16H,3-6,8-9H2,1-2H3
InChIKeyZMQDPDBCTLBDFT-UHFFFAOYSA-N
XLogP2.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-bromo-5-(ethylaminomethyl)-N-[(1-methoxycyclobutyl)methyl]thiophene-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-5-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)thiophene-3-sulfonamide
CID 106080012
2-bromo-5-(ethylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide
CID 106063014
2-bromo-5-(ethylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-3-sulfonamide
CID 106055664
2-bromo-N-[(1-methylsulfanylcyclopropyl)methyl]-5-(propylaminomethyl)thiophene-3-sulfonamide
CID 106093210
2-bromo-5-(ethylaminomethyl)-N-(3-fluoropropyl)thiophene-3-sulfonamide
CID 114267253
2-bromo-N-(2,2-dimethylcyclopentyl)-5-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106071064
2-bromo-N-[(1-methoxycyclobutyl)methyl]-5-(methylaminomethyl)benzenesulfonamide
CID 106090990
2-bromo-5-(ethylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-3-sulfonamide
CID 106015443
2-bromo-5-(ethylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide
CID 106050019
2-bromo-N-[1-(dimethylamino)propan-2-yl]-5-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106074422
2-bromo-5-(propylaminomethyl)-N-(thiolan-2-ylmethyl)thiophene-3-sulfonamide
CID 106071616
2,5-dichloro-3-(hydroxymethyl)-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide
CID 106001090

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(ethylaminomethyl)-N-[(1-methoxycyclobutyl)methyl]thiophene-3-sulfonamide?
The IUPAC name of 2-bromo-5-(ethylaminomethyl)-N-[(1-methoxycyclobutyl)methyl]thiophene-3-sulfonamide (CID 106091004) is 2-bromo-5-(ethylaminomethyl)-N-[(1-methoxycyclobutyl)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-bromo-5-(ethylaminomethyl)-N-[(1-methoxycyclobutyl)methyl]thiophene-3-sulfonamide?
The canonical SMILES for 2-bromo-5-(ethylaminomethyl)-N-[(1-methoxycyclobutyl)methyl]thiophene-3-sulfonamide is CCNCc1cc(S(=O)(=O)NCC2(OC)CCC2)c(Br)s1.
What is the InChIKey of 2-bromo-5-(ethylaminomethyl)-N-[(1-methoxycyclobutyl)methyl]thiophene-3-sulfonamide?
The InChIKey is ZMQDPDBCTLBDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O3S2/c1-3-15-8-10-7-11(12(14)20-10)21(17,18)16-9-13(19-2)5-4-6-13/h7,15-16H,3-6,8-9H2,1-2H3.
What are the key properties of 2-bromo-5-(ethylaminomethyl)-N-[(1-methoxycyclobutyl)methyl]thiophene-3-sulfonamide?
2-bromo-5-(ethylaminomethyl)-N-[(1-methoxycyclobutyl)methyl]thiophene-3-sulfonamide has a molecular weight of 397.36 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(ethylaminomethyl)-N-[(1-methoxycyclobutyl)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106091004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).