N-[2-[[5-(2-bromophenyl)thiophen-2-yl]methylamino]ethyl]methanesulfonamide

C14H17BrN2O2S2 — CID 49463628

IUPACN-[2-[[5-(2-bromophenyl)thiophen-2-yl]methylamino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCc1ccc(-c2ccccc2Br)s1
InChIInChI=1S/C14H17BrN2O2S2/c1-21(18,19)17-9-8-16-10-11-6-7-14(20-11)12-4-2-3-5-13(12)15/h2-7,16-17H,8-10H2,1H3
InChIKeyNDPPNGWOGCDXGV-UHFFFAOYSA-N
MW389.34 g/mol
LogP2.82
Rot. Bonds7

About N-[2-[[5-(2-bromophenyl)thiophen-2-yl]methylamino]ethyl]methanesulfonamide

N-[2-[[5-(2-bromophenyl)thiophen-2-yl]methylamino]ethyl]methanesulfonamide (PubChem CID 49463628) has the molecular formula C14H17BrN2O2S2 and a molecular weight of 389.34 g/mol. Its IUPAC name is N-[2-[[5-(2-bromophenyl)thiophen-2-yl]methylamino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[5-(2-bromophenyl)thiophen-2-yl]methylamino]ethyl]methanesulfonamide
PubChem CID49463628
Molecular FormulaC14H17BrN2O2S2
Molecular Weight389.34 g/mol
Exact Mass387.99
IUPAC NameN-[2-[[5-(2-bromophenyl)thiophen-2-yl]methylamino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCc1ccc(-c2ccccc2Br)s1
InChIInChI=1S/C14H17BrN2O2S2/c1-21(18,19)17-9-8-16-10-11-6-7-14(20-11)12-4-2-3-5-13(12)15/h2-7,16-17H,8-10H2,1H3
InChIKeyNDPPNGWOGCDXGV-UHFFFAOYSA-N
XLogP2.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.34
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(2-bromophenyl)thiophen-2-yl]methylamino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[[5-(2-bromophenyl)thiophen-2-yl]methylamino]ethyl]methanesulfonamide (CID 49463628) is N-[2-[[5-(2-bromophenyl)thiophen-2-yl]methylamino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[5-(2-bromophenyl)thiophen-2-yl]methylamino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[[5-(2-bromophenyl)thiophen-2-yl]methylamino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNCc1ccc(-c2ccccc2Br)s1.
What is the InChIKey of N-[2-[[5-(2-bromophenyl)thiophen-2-yl]methylamino]ethyl]methanesulfonamide?
The InChIKey is NDPPNGWOGCDXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2S2/c1-21(18,19)17-9-8-16-10-11-6-7-14(20-11)12-4-2-3-5-13(12)15/h2-7,16-17H,8-10H2,1H3.
What are the key properties of N-[2-[[5-(2-bromophenyl)thiophen-2-yl]methylamino]ethyl]methanesulfonamide?
N-[2-[[5-(2-bromophenyl)thiophen-2-yl]methylamino]ethyl]methanesulfonamide has a molecular weight of 389.34 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(2-bromophenyl)thiophen-2-yl]methylamino]ethyl]methanesulfonamide is sourced from PubChem (CID 49463628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).