N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide

C15H15BrN2O2S — CID 55609041

IUPACN-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CC(=O)NCc1cccc(Br)c1)C(=O)c1cccs1
InChIInChI=1S/C15H15BrN2O2S/c1-18(15(20)13-6-3-7-21-13)10-14(19)17-9-11-4-2-5-12(16)8-11/h2-8H,9-10H2,1H3,(H,17,19)
InChIKeyYKHCBRSRYYISFW-UHFFFAOYSA-N
MW367.27 g/mol
LogP2.90
Rot. Bonds5

About N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide

N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide (PubChem CID 55609041) has the molecular formula C15H15BrN2O2S and a molecular weight of 367.27 g/mol. Its IUPAC name is N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
PubChem CID55609041
Molecular FormulaC15H15BrN2O2S
Molecular Weight367.27 g/mol
Exact Mass366.00
IUPAC NameN-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CC(=O)NCc1cccc(Br)c1)C(=O)c1cccs1
InChIInChI=1S/C15H15BrN2O2S/c1-18(15(20)13-6-3-7-21-13)10-14(19)17-9-11-4-2-5-12(16)8-11/h2-8H,9-10H2,1H3,(H,17,19)
InChIKeyYKHCBRSRYYISFW-UHFFFAOYSA-N
XLogP2.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]methyl]benzoic acid
CID 75415549
methyl N-[4-[[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]methyl]phenyl]carbamate
CID 55845804
N-methyl-N-[2-oxo-2-[(2-phenylmethoxy-4-pyridinyl)methylamino]ethyl]thiophene-2-carboxamide
CID 55716009
N-[2-(2-bromoprop-2-enylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 47438669
N-[(3-bromophenyl)methyl]-3-thiophen-2-ylpropanamide
CID 52570732
N-methyl-N-[2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 47899556
N-[2-(4-hydroxybutylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 106843658
N-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 86985377
N-[2-[[(2S)-2-benzyl-3-hydroxypropyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 95772105
2-hydroxy-3-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]propanoic acid
CID 66167883
3-[(3-bromophenyl)methyl]-1-ethyl-1-methylurea
CID 78917448
methyl 3-[(3-bromophenyl)methylamino]-3-oxopropanoate
CID 115174358

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide (CID 55609041) is N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide is CN(CC(=O)NCc1cccc(Br)c1)C(=O)c1cccs1.
What is the InChIKey of N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is YKHCBRSRYYISFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2S/c1-18(15(20)13-6-3-7-21-13)10-14(19)17-9-11-4-2-5-12(16)8-11/h2-8H,9-10H2,1H3,(H,17,19).
What are the key properties of N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 367.27 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 55609041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).