N-[1-[1-(4-bromophenyl)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide

C17H19BrN2O2S — CID 51299263

IUPACN-[1-[1-(4-bromophenyl)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCCC(NC(=O)C(C)NC(=O)c1cccs1)c1ccc(Br)cc1
InChIInChI=1S/C17H19BrN2O2S/c1-3-14(12-6-8-13(18)9-7-12)20-16(21)11(2)19-17(22)15-5-4-10-23-15/h4-11,14H,3H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyDSYLEOCUXKBXIP-UHFFFAOYSA-N
MW395.32 g/mol
LogP3.90
Rot. Bonds6

About N-[1-[1-(4-bromophenyl)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[1-[1-(4-bromophenyl)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 51299263) has the molecular formula C17H19BrN2O2S and a molecular weight of 395.32 g/mol. Its IUPAC name is N-[1-[1-(4-bromophenyl)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(4-bromophenyl)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID51299263
Molecular FormulaC17H19BrN2O2S
Molecular Weight395.32 g/mol
Exact Mass394.04
IUPAC NameN-[1-[1-(4-bromophenyl)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCCC(NC(=O)C(C)NC(=O)c1cccs1)c1ccc(Br)cc1
InChIInChI=1S/C17H19BrN2O2S/c1-3-14(12-6-8-13(18)9-7-12)20-16(21)11(2)19-17(22)15-5-4-10-23-15/h4-11,14H,3H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyDSYLEOCUXKBXIP-UHFFFAOYSA-N
XLogP3.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.32
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[(1S)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] thiophene-2-carboxylate
CID 8631086
N-[1-[[(4-bromophenyl)-cyclobutylmethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55978681
N-[1-[1-(3-bromophenyl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 43059234
benzyl N-[(2S)-1-[[(1S)-1-(4-bromophenyl)propyl]amino]-1-oxopropan-2-yl]carbamate
CID 39958923
N-[(S)-(4-bromophenyl)-phenylmethyl]thiophene-2-carboxamide
CID 95151159
5-bromo-N-[1-[(3-methyl-1-thiophen-2-ylbutyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55977452
(2R)-2-(benzylsulfonylamino)-N-[(1S)-1-(4-bromophenyl)propyl]propanamide
CID 51966035
(2S)-3-methyl-2-[2-(thiophene-2-carbonylamino)propanoylamino]butanoic acid
CID 61137613
N-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]thiophene-2-carboxamide
CID 51305133
2-(aminomethyl)-N-[1-(4-bromophenyl)propyl]-3-methylbutanamide
CID 65224708
N-[1-(4-bromophenyl)propyl]-1,3-thiazole-5-carboxamide
CID 17399690
N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 119585489

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-bromophenyl)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[1-(4-bromophenyl)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 51299263) is N-[1-[1-(4-bromophenyl)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[1-(4-bromophenyl)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[1-(4-bromophenyl)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide is CCC(NC(=O)C(C)NC(=O)c1cccs1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-[1-(4-bromophenyl)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is DSYLEOCUXKBXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O2S/c1-3-14(12-6-8-13(18)9-7-12)20-16(21)11(2)19-17(22)15-5-4-10-23-15/h4-11,14H,3H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[1-[1-(4-bromophenyl)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[1-[1-(4-bromophenyl)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 395.32 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-bromophenyl)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 51299263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).