N-[1-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide

C27H30N4O3S — CID 55349771

IUPACN-[1-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCOc1ccccc1C(CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1cccs1)N(C)C
InChIInChI=1S/C27H30N4O3S/c1-31(2)23(20-10-5-7-12-24(20)34-3)17-29-26(32)22(30-27(33)25-13-8-14-35-25)15-18-16-28-21-11-6-4-9-19(18)21/h4-14,16,22-23,28H,15,17H2,1-3H3,(H,29,32)(H,30,33)
InChIKeyROYBPRVRNLAXDK-UHFFFAOYSA-N
MW490.63 g/mol
LogP4.00
Rot. Bonds10

About N-[1-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[1-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 55349771) has the molecular formula C27H30N4O3S and a molecular weight of 490.63 g/mol. Its IUPAC name is N-[1-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID55349771
Molecular FormulaC27H30N4O3S
Molecular Weight490.63 g/mol
Exact Mass490.20
IUPAC NameN-[1-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCOc1ccccc1C(CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1cccs1)N(C)C
InChIInChI=1S/C27H30N4O3S/c1-31(2)23(20-10-5-7-12-24(20)34-3)17-29-26(32)22(30-27(33)25-13-8-14-35-25)15-18-16-28-21-11-6-4-9-19(18)21/h4-14,16,22-23,28H,15,17H2,1-3H3,(H,29,32)(H,30,33)
InChIKeyROYBPRVRNLAXDK-UHFFFAOYSA-N
XLogP4.00
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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-[(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-[[4-(methoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46424980
benzyl N-[(2S)-1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 24640715
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide;hydrochloride
CID 52985337
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-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[2-[4-(trifluoromethyl)phenyl]ethylamino]propan-2-yl]thiophene-2-carboxamide
CID 24544390
N-[3-(1H-indol-3-yl)-1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55550324
N-[(2S)-1-[2-(4-ethoxybenzoyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55937049
N-[(2R)-3-(1H-indol-3-yl)-1-[(1-methylpyrazol-3-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 26288160

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 55349771) is N-[1-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide is COc1ccccc1C(CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1cccs1)N(C)C.
What is the InChIKey of N-[1-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is ROYBPRVRNLAXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3S/c1-31(2)23(20-10-5-7-12-24(20)34-3)17-29-26(32)22(30-27(33)25-13-8-14-35-25)15-18-16-28-21-11-6-4-9-19(18)21/h4-14,16,22-23,28H,15,17H2,1-3H3,(H,29,32)(H,30,33).
What are the key properties of N-[1-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[1-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 490.63 g/mol, XLogP of 4.00, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 55349771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).