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

C19H21BrN2O2S — CID 55978681

IUPACN-[1-[[(4-bromophenyl)-cyclobutylmethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)NC(c1ccc(Br)cc1)C1CCC1
InChIInChI=1S/C19H21BrN2O2S/c1-12(21-19(24)16-6-3-11-25-16)18(23)22-17(13-4-2-5-13)14-7-9-15(20)10-8-14/h3,6-13,17H,2,4-5H2,1H3,(H,21,24)(H,22,23)
InChIKeyXNRAORDWZDLCOR-UHFFFAOYSA-N
MW421.36 g/mol
LogP4.29
Rot. Bonds6

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

N-[1-[[(4-bromophenyl)-cyclobutylmethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 55978681) has the molecular formula C19H21BrN2O2S and a molecular weight of 421.36 g/mol. Its IUPAC name is N-[1-[[(4-bromophenyl)-cyclobutylmethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[(4-bromophenyl)-cyclobutylmethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID55978681
Molecular FormulaC19H21BrN2O2S
Molecular Weight421.36 g/mol
Exact Mass420.05
IUPAC NameN-[1-[[(4-bromophenyl)-cyclobutylmethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)NC(c1ccc(Br)cc1)C1CCC1
InChIInChI=1S/C19H21BrN2O2S/c1-12(21-19(24)16-6-3-11-25-16)18(23)22-17(13-4-2-5-13)14-7-9-15(20)10-8-14/h3,6-13,17H,2,4-5H2,1H3,(H,21,24)(H,22,23)
InChIKeyXNRAORDWZDLCOR-UHFFFAOYSA-N
XLogP4.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.36
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-[[(4-bromophenyl)-cyclobutylmethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide 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

N-[(2S)-1-[[(S)-cyclopentyl(thiophen-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 39612740
N-[1-[1-(4-bromophenyl)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51299263
N-[cyclopropyl-(4-methylphenyl)methyl]thiophene-2-carboxamide
CID 51296320
N-[1-[1-(3-bromophenyl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 43059234
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide
CID 39032304
N-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119385819
N-[1-[(4-aminocyclohexyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119474452
N-[(S)-(4-bromophenyl)-phenylmethyl]thiophene-2-carboxamide
CID 95151159
(2S)-3-methyl-2-[2-(thiophene-2-carbonylamino)propanoylamino]butanoic acid
CID 61137613
N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 130174839
N-[1-[1-[4-(carbamoylamino)phenyl]ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55703165
N-[1-(3,4-dihydro-2H-thiochromen-4-ylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 42929757

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(4-bromophenyl)-cyclobutylmethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[[(4-bromophenyl)-cyclobutylmethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 55978681) is N-[1-[[(4-bromophenyl)-cyclobutylmethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[[(4-bromophenyl)-cyclobutylmethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[[(4-bromophenyl)-cyclobutylmethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide is CC(NC(=O)c1cccs1)C(=O)NC(c1ccc(Br)cc1)C1CCC1.
What is the InChIKey of N-[1-[[(4-bromophenyl)-cyclobutylmethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is XNRAORDWZDLCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2S/c1-12(21-19(24)16-6-3-11-25-16)18(23)22-17(13-4-2-5-13)14-7-9-15(20)10-8-14/h3,6-13,17H,2,4-5H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[1-[[(4-bromophenyl)-cyclobutylmethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[1-[[(4-bromophenyl)-cyclobutylmethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 421.36 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(4-bromophenyl)-cyclobutylmethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 55978681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).