N-[(2R)-1-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpropyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide

C27H36N4O2S — CID 52532851

IUPACN-[(2R)-1-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpropyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESC[C@@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)C1
InChIInChI=1S/C27H36N4O2S/c1-18-12-19(2)16-31(15-18)27(3,4)17-29-25(32)23(30-26(33)24-10-7-11-34-24)13-20-14-28-22-9-6-5-8-21(20)22/h5-11,14,18-19,23,28H,12-13,15-17H2,1-4H3,(H,29,32)(H,30,33)/t18-,19-,23-/m1/s1
InChIKeyPGOQKRSGGUXBSO-DNVFCKCGSA-N
MW480.68 g/mol
LogP4.44
Rot. Bonds8

About N-[(2R)-1-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpropyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[(2R)-1-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpropyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 52532851) has the molecular formula C27H36N4O2S and a molecular weight of 480.68 g/mol. Its IUPAC name is N-[(2R)-1-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpropyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpropyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID52532851
Molecular FormulaC27H36N4O2S
Molecular Weight480.68 g/mol
Exact Mass480.26
IUPAC NameN-[(2R)-1-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpropyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESC[C@@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)C1
InChIInChI=1S/C27H36N4O2S/c1-18-12-19(2)16-31(15-18)27(3,4)17-29-25(32)23(30-26(33)24-10-7-11-34-24)13-20-14-28-22-9-6-5-8-21(20)22/h5-11,14,18-19,23,28H,12-13,15-17H2,1-4H3,(H,29,32)(H,30,33)/t18-,19-,23-/m1/s1
InChIKeyPGOQKRSGGUXBSO-DNVFCKCGSA-N
XLogP4.44
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.68
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-1-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpropyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 10338092
methyl (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
CID 6923544
N-[3-(1H-indol-3-yl)-1-[[4-(methoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46424980
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[2-[4-(trifluoromethyl)phenyl]ethylamino]propan-2-yl]thiophene-2-carboxamide
CID 24544390
N-[(2S)-1-(furan-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 2465140
N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]thiophene-2-carboxamide
CID 40797397
N-[1-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55349771
N-[(2S)-3-(1H-indol-3-yl)-1-[3-(N-methylanilino)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 24543500
N-[3-(1H-indol-3-yl)-1-[1-(4-methylsulfanylphenyl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46432484
N-[(2R)-3-(1H-indol-3-yl)-1-[(1-methylpyrazol-3-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 26288160
N-[3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 3549726
(2-chlorophenyl)methyl 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
CID 23738438

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpropyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(2R)-1-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpropyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 52532851) is N-[(2R)-1-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpropyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpropyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2R)-1-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpropyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide is C[C@@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)C1.
What is the InChIKey of N-[(2R)-1-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpropyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is PGOQKRSGGUXBSO-DNVFCKCGSA-N. The full InChI is InChI=1S/C27H36N4O2S/c1-18-12-19(2)16-31(15-18)27(3,4)17-29-25(32)23(30-26(33)24-10-7-11-34-24)13-20-14-28-22-9-6-5-8-21(20)22/h5-11,14,18-19,23,28H,12-13,15-17H2,1-4H3,(H,29,32)(H,30,33)/t18-,19-,23-/m1/s1.
What are the key properties of N-[(2R)-1-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpropyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[(2R)-1-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpropyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 480.68 g/mol, XLogP of 4.44, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpropyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 52532851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).