N-[3-[methyl-(4-phenylcyclohexyl)amino]-3-oxopropyl]thiophene-3-carboxamide

C21H26N2O2S — CID 55588261

IUPACN-[3-[methyl-(4-phenylcyclohexyl)amino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCN(C(=O)CCNC(=O)c1ccsc1)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C21H26N2O2S/c1-23(20(24)11-13-22-21(25)18-12-14-26-15-18)19-9-7-17(8-10-19)16-5-3-2-4-6-16/h2-6,12,14-15,17,19H,7-11,13H2,1H3,(H,22,25)
InChIKeyKCYAHEVPANPLQA-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.05
Rot. Bonds6

About N-[3-[methyl-(4-phenylcyclohexyl)amino]-3-oxopropyl]thiophene-3-carboxamide

N-[3-[methyl-(4-phenylcyclohexyl)amino]-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 55588261) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-[3-[methyl-(4-phenylcyclohexyl)amino]-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[methyl-(4-phenylcyclohexyl)amino]-3-oxopropyl]thiophene-3-carboxamide
PubChem CID55588261
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC NameN-[3-[methyl-(4-phenylcyclohexyl)amino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCN(C(=O)CCNC(=O)c1ccsc1)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C21H26N2O2S/c1-23(20(24)11-13-22-21(25)18-12-14-26-15-18)19-9-7-17(8-10-19)16-5-3-2-4-6-16/h2-6,12,14-15,17,19H,7-11,13H2,1H3,(H,22,25)
InChIKeyKCYAHEVPANPLQA-UHFFFAOYSA-N
XLogP4.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-(phenylcarbamoylamino)-N-(4-phenylcyclohexyl)propanamide
CID 55588872
3-[cyclopropyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]propanoic acid
CID 60844519
N-[3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-3-oxopropyl]thiophene-3-carboxamide
CID 134013849
N-[3-[methoxy(methyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 60656257
2-[carboxymethyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]acetic acid
CID 63645564
N-[3-[(3-fluorophenyl)methyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 18113918
N-[3-[(1-methyl-2-phenylpyrrolidin-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 71907631
N-[3-[butan-2-yl(methyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 134006121
N-[3-(N-benzylanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 24555383
N-[3-[bis(prop-2-enyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 78803647
N-[3-[[4-(dimethylamino)phenyl]methyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 78803022
N-[3-[1-(2-fluorophenyl)ethyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 46590732

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl-(4-phenylcyclohexyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-[methyl-(4-phenylcyclohexyl)amino]-3-oxopropyl]thiophene-3-carboxamide (CID 55588261) is N-[3-[methyl-(4-phenylcyclohexyl)amino]-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[methyl-(4-phenylcyclohexyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-[methyl-(4-phenylcyclohexyl)amino]-3-oxopropyl]thiophene-3-carboxamide is CN(C(=O)CCNC(=O)c1ccsc1)C1CCC(c2ccccc2)CC1.
What is the InChIKey of N-[3-[methyl-(4-phenylcyclohexyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is KCYAHEVPANPLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-23(20(24)11-13-22-21(25)18-12-14-26-15-18)19-9-7-17(8-10-19)16-5-3-2-4-6-16/h2-6,12,14-15,17,19H,7-11,13H2,1H3,(H,22,25).
What are the key properties of N-[3-[methyl-(4-phenylcyclohexyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
N-[3-[methyl-(4-phenylcyclohexyl)amino]-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 370.52 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl-(4-phenylcyclohexyl)amino]-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 55588261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).