N-[3-oxo-3-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]propyl]thiophene-2-carboxamide

C22H24N2O2S2 — CID 18267861

IUPACN-[3-oxo-3-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]propyl]thiophene-2-carboxamide
SMILESCC(C)c1ccc(C(NC(=O)CCNC(=O)c2cccs2)c2cccs2)cc1
InChIInChI=1S/C22H24N2O2S2/c1-15(2)16-7-9-17(10-8-16)21(18-5-3-13-27-18)24-20(25)11-12-23-22(26)19-6-4-14-28-19/h3-10,13-15,21H,11-12H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyJJQWPKQFEOPJMU-UHFFFAOYSA-N
MW412.58 g/mol
LogP4.96
Rot. Bonds8

About N-[3-oxo-3-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]propyl]thiophene-2-carboxamide

N-[3-oxo-3-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]propyl]thiophene-2-carboxamide (PubChem CID 18267861) has the molecular formula C22H24N2O2S2 and a molecular weight of 412.58 g/mol. Its IUPAC name is N-[3-oxo-3-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]propyl]thiophene-2-carboxamide
PubChem CID18267861
Molecular FormulaC22H24N2O2S2
Molecular Weight412.58 g/mol
Exact Mass412.13
IUPAC NameN-[3-oxo-3-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]propyl]thiophene-2-carboxamide
SMILESCC(C)c1ccc(C(NC(=O)CCNC(=O)c2cccs2)c2cccs2)cc1
InChIInChI=1S/C22H24N2O2S2/c1-15(2)16-7-9-17(10-8-16)21(18-5-3-13-27-18)24-20(25)11-12-23-22(26)19-6-4-14-28-19/h3-10,13-15,21H,11-12H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyJJQWPKQFEOPJMU-UHFFFAOYSA-N
XLogP4.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[(4-methylphenyl)-phenylmethyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 51184874
3-amino-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]propanamide
CID 119273511
N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-2-carboxamide
CID 43043080
N-[3-[1-(4-bromophenyl)ethylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 18192625
N-[3-[(4-hydroxy-3-methylbutan-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide
CID 115770942
N-[4-[[(4-methylphenyl)-phenylmethyl]amino]-4-oxobutyl]thiophene-2-carboxamide
CID 55368199
N-[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 112795550
N-[3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 46589785
N-[3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 17403858
N-[3-[2,6-di(propan-2-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 17497186
N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-2-propylsulfonylacetamide
CID 60572383
N-[3-(2-methylpropoxyamino)-3-oxopropyl]thiophene-2-carboxamide
CID 115410037

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]propyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-oxo-3-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]propyl]thiophene-2-carboxamide (CID 18267861) is N-[3-oxo-3-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-oxo-3-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-oxo-3-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]propyl]thiophene-2-carboxamide is CC(C)c1ccc(C(NC(=O)CCNC(=O)c2cccs2)c2cccs2)cc1.
What is the InChIKey of N-[3-oxo-3-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]propyl]thiophene-2-carboxamide?
The InChIKey is JJQWPKQFEOPJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S2/c1-15(2)16-7-9-17(10-8-16)21(18-5-3-13-27-18)24-20(25)11-12-23-22(26)19-6-4-14-28-19/h3-10,13-15,21H,11-12H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-[3-oxo-3-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]propyl]thiophene-2-carboxamide?
N-[3-oxo-3-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]propyl]thiophene-2-carboxamide has a molecular weight of 412.58 g/mol, XLogP of 4.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]propyl]thiophene-2-carboxamide is sourced from PubChem (CID 18267861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).