N-[3-[2,6-di(propan-2-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide

C20H26N2O2S — CID 17497186

IUPACN-[3-[2,6-di(propan-2-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CCNC(=O)c1cccs1
InChIInChI=1S/C20H26N2O2S/c1-13(2)15-7-5-8-16(14(3)4)19(15)22-18(23)10-11-21-20(24)17-9-6-12-25-17/h5-9,12-14H,10-11H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyPFGVOXXPFXGWON-UHFFFAOYSA-N
MW358.51 g/mol
LogP4.75
Rot. Bonds7

About N-[3-[2,6-di(propan-2-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide

N-[3-[2,6-di(propan-2-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 17497186) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[3-[2,6-di(propan-2-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2,6-di(propan-2-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide
PubChem CID17497186
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC NameN-[3-[2,6-di(propan-2-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CCNC(=O)c1cccs1
InChIInChI=1S/C20H26N2O2S/c1-13(2)15-7-5-8-16(14(3)4)19(15)22-18(23)10-11-21-20(24)17-9-6-12-25-17/h5-9,12-14H,10-11H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyPFGVOXXPFXGWON-UHFFFAOYSA-N
XLogP4.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-2-carboxamide
CID 43043080
N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 27648785
N-[3-(3-acetylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497033
N-[2,6-di(propan-2-yl)phenyl]-3-(propan-2-ylamino)propanamide
CID 109011721
N-[3-[(4-hydroxy-3-methylbutan-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide
CID 115770942
N-[3-(2-methylpropoxyamino)-3-oxopropyl]thiophene-2-carboxamide
CID 115410037
N-[3-(4-chloroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499773
N-[3-(3-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499765
N-[3-[3-(ethylcarbamoyl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 46421922
N-[3-oxo-3-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]propyl]thiophene-2-carboxamide
CID 18267861
N-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-3-oxopropyl]thiophene-2-carboxamide
CID 78927721
N-[3-oxo-3-(pyridin-2-ylamino)propyl]thiophene-2-carboxamide
CID 51266033

Frequently Asked Questions

What is the IUPAC name of N-[3-[2,6-di(propan-2-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[2,6-di(propan-2-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide (CID 17497186) is N-[3-[2,6-di(propan-2-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[2,6-di(propan-2-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[2,6-di(propan-2-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide is CC(C)c1cccc(C(C)C)c1NC(=O)CCNC(=O)c1cccs1.
What is the InChIKey of N-[3-[2,6-di(propan-2-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is PFGVOXXPFXGWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-13(2)15-7-5-8-16(14(3)4)19(15)22-18(23)10-11-21-20(24)17-9-6-12-25-17/h5-9,12-14H,10-11H2,1-4H3,(H,21,24)(H,22,23).
What are the key properties of N-[3-[2,6-di(propan-2-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide?
N-[3-[2,6-di(propan-2-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 358.51 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2,6-di(propan-2-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 17497186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).