N-[1-[(2-hydroxycyclohexyl)methyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide

C16H24N2O3S — CID 110003601

IUPACN-[1-[(2-hydroxycyclohexyl)methyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)N(C)CC1CCCCC1O
InChIInChI=1S/C16H24N2O3S/c1-11(17-15(20)14-8-5-9-22-14)16(21)18(2)10-12-6-3-4-7-13(12)19/h5,8-9,11-13,19H,3-4,6-7,10H2,1-2H3,(H,17,20)
InChIKeyFVCCNJGMFGSHOM-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.88
Rot. Bonds5

About N-[1-[(2-hydroxycyclohexyl)methyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[1-[(2-hydroxycyclohexyl)methyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 110003601) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[1-[(2-hydroxycyclohexyl)methyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-hydroxycyclohexyl)methyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID110003601
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-[1-[(2-hydroxycyclohexyl)methyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)N(C)CC1CCCCC1O
InChIInChI=1S/C16H24N2O3S/c1-11(17-15(20)14-8-5-9-22-14)16(21)18(2)10-12-6-3-4-7-13(12)19/h5,8-9,11-13,19H,3-4,6-7,10H2,1-2H3,(H,17,20)
InChIKeyFVCCNJGMFGSHOM-UHFFFAOYSA-N
XLogP1.88
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[cyclohexylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 43057458
N-[2-[(2-hydroxycyclopentyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 109400317
N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 130174839
N-[(2S)-1-[[(S)-cyclopentyl(thiophen-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 39612740
methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387
N-[1-[(4-cyanophenyl)methyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 134004262
N-[(2R)-1-[2-(4-chlorophenoxy)ethyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 99865873
N-[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 47143464
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide
CID 39032304
N-[1-[3-hydroxypropyl(propan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 61039914
N-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46522928
[(2S)-4-methylpentan-2-yl] (2R)-2-(thiophene-2-carbonylamino)propanoate
CID 95572910

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-hydroxycyclohexyl)methyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[(2-hydroxycyclohexyl)methyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 110003601) is N-[1-[(2-hydroxycyclohexyl)methyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[(2-hydroxycyclohexyl)methyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[(2-hydroxycyclohexyl)methyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide is CC(NC(=O)c1cccs1)C(=O)N(C)CC1CCCCC1O.
What is the InChIKey of N-[1-[(2-hydroxycyclohexyl)methyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is FVCCNJGMFGSHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-11(17-15(20)14-8-5-9-22-14)16(21)18(2)10-12-6-3-4-7-13(12)19/h5,8-9,11-13,19H,3-4,6-7,10H2,1-2H3,(H,17,20).
What are the key properties of N-[1-[(2-hydroxycyclohexyl)methyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[1-[(2-hydroxycyclohexyl)methyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-hydroxycyclohexyl)methyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 110003601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).