N-[1-[(2-amino-1-cyclohexylethyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide

C18H29N3O2S — CID 119591130

IUPACN-[1-[(2-amino-1-cyclohexylethyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
SMILESCC(C)C(NC(=O)c1cccs1)C(=O)NC(CN)C1CCCCC1
InChIInChI=1S/C18H29N3O2S/c1-12(2)16(21-17(22)15-9-6-10-24-15)18(23)20-14(11-19)13-7-4-3-5-8-13/h6,9-10,12-14,16H,3-5,7-8,11,19H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyPRNXZMSDFYBAHX-UHFFFAOYSA-N
MW351.52 g/mol
LogP2.53
Rot. Bonds7

About N-[1-[(2-amino-1-cyclohexylethyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide

N-[1-[(2-amino-1-cyclohexylethyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide (PubChem CID 119591130) has the molecular formula C18H29N3O2S and a molecular weight of 351.52 g/mol. Its IUPAC name is N-[1-[(2-amino-1-cyclohexylethyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-amino-1-cyclohexylethyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
PubChem CID119591130
Molecular FormulaC18H29N3O2S
Molecular Weight351.52 g/mol
Exact Mass351.20
IUPAC NameN-[1-[(2-amino-1-cyclohexylethyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
SMILESCC(C)C(NC(=O)c1cccs1)C(=O)NC(CN)C1CCCCC1
InChIInChI=1S/C18H29N3O2S/c1-12(2)16(21-17(22)15-9-6-10-24-15)18(23)20-14(11-19)13-7-4-3-5-8-13/h6,9-10,12-14,16H,3-5,7-8,11,19H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyPRNXZMSDFYBAHX-UHFFFAOYSA-N
XLogP2.53
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[1-[(2-amino-1-cyclohexylethyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[1-(2-aminoethylamino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 119384385
N-[1-(3-cyclohexyloxypropylamino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 46613206
N-[3-[(2-amino-1-cyclohexylethyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119591586
N-[1-[(2-amino-1-cyclopropylethyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 119614272
N-[(2R)-1-[(1-acetylpiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 39966093
N-[1-[cyclohexylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 43057458
N-[3-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)butan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119513122
2-[[3-methyl-2-(thiophene-2-carbonylamino)butanoyl]amino]butanoic acid
CID 119223879
N-[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51195012
N-(2-amino-1-cyclohexylethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride
CID 119589432
N-(2-amino-1-cyclohexylethyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 119589001
N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51221587

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-amino-1-cyclohexylethyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[(2-amino-1-cyclohexylethyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide (CID 119591130) is N-[1-[(2-amino-1-cyclohexylethyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[(2-amino-1-cyclohexylethyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[(2-amino-1-cyclohexylethyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide is CC(C)C(NC(=O)c1cccs1)C(=O)NC(CN)C1CCCCC1.
What is the InChIKey of N-[1-[(2-amino-1-cyclohexylethyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
The InChIKey is PRNXZMSDFYBAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2S/c1-12(2)16(21-17(22)15-9-6-10-24-15)18(23)20-14(11-19)13-7-4-3-5-8-13/h6,9-10,12-14,16H,3-5,7-8,11,19H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[1-[(2-amino-1-cyclohexylethyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
N-[1-[(2-amino-1-cyclohexylethyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide has a molecular weight of 351.52 g/mol, XLogP of 2.53, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-amino-1-cyclohexylethyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 119591130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).