N-[1-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide

C27H28N4O3S — CID 46563864

IUPACN-[1-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1cccs1
InChIInChI=1S/C27H28N4O3S/c1-3-18-9-4-6-11-21(18)29-25(32)17-31(2)27(34)23(30-26(33)24-13-8-14-35-24)15-19-16-28-22-12-7-5-10-20(19)22/h4-14,16,23,28H,3,15,17H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyHCJTYLZWZNZERY-UHFFFAOYSA-N
MW488.61 g/mol
LogP4.23
Rot. Bonds9

About N-[1-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[1-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 46563864) has the molecular formula C27H28N4O3S and a molecular weight of 488.61 g/mol. Its IUPAC name is N-[1-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID46563864
Molecular FormulaC27H28N4O3S
Molecular Weight488.61 g/mol
Exact Mass488.19
IUPAC NameN-[1-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1cccs1
InChIInChI=1S/C27H28N4O3S/c1-3-18-9-4-6-11-21(18)29-25(32)17-31(2)27(34)23(30-26(33)24-13-8-14-35-24)15-19-16-28-22-12-7-5-10-20(19)22/h4-14,16,23,28H,3,15,17H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyHCJTYLZWZNZERY-UHFFFAOYSA-N
XLogP4.23
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1H-indol-3-yl)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46555681
N-[(2S)-1-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 24550043
N-[3-(1H-indol-3-yl)-1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55550324
methyl (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
CID 6923544
N-[(2S)-1-[2-(2-fluorophenoxy)ethyl-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 24552173
N-[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 10338092
[2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
CID 42552078
N-[(2S)-3-(1H-indol-3-yl)-1-[3-(N-methylanilino)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 24543500
N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]thiophene-2-carboxamide
CID 40797397
N,N-diethyl-4-[3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoyl]piperazine-1-carboxamide
CID 46440333
N-[(2R)-3-(1H-indol-3-yl)-1-[(1-methylpyrazol-3-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 26288160
N-[1-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55349771

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 46563864) is N-[1-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide is CCc1ccccc1NC(=O)CN(C)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1cccs1.
What is the InChIKey of N-[1-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is HCJTYLZWZNZERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3S/c1-3-18-9-4-6-11-21(18)29-25(32)17-31(2)27(34)23(30-26(33)24-13-8-14-35-24)15-19-16-28-22-12-7-5-10-20(19)22/h4-14,16,23,28H,3,15,17H2,1-2H3,(H,29,32)(H,30,33).
What are the key properties of N-[1-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[1-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 488.61 g/mol, XLogP of 4.23, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 46563864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).