N-[2,2-dimethyl-3-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide

C15H18N2O2S2 — CID 2171062

IUPACN-[2,2-dimethyl-3-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide
SMILESCC(C)(CNC(=O)c1cccs1)CNC(=O)c1cccs1
InChIInChI=1S/C15H18N2O2S2/c1-15(2,9-16-13(18)11-5-3-7-20-11)10-17-14(19)12-6-4-8-21-12/h3-8H,9-10H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyRZWYCKPJCCIETA-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.00
Rot. Bonds6

About N-[2,2-dimethyl-3-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide

N-[2,2-dimethyl-3-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide (PubChem CID 2171062) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide
PubChem CID2171062
Molecular FormulaC15H18N2O2S2
Molecular Weight322.45 g/mol
Exact Mass322.08
IUPAC NameN-[2,2-dimethyl-3-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide
SMILESCC(C)(CNC(=O)c1cccs1)CNC(=O)c1cccs1
InChIInChI=1S/C15H18N2O2S2/c1-15(2,9-16-13(18)11-5-3-7-20-11)10-17-14(19)12-6-4-8-21-12/h3-8H,9-10H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyRZWYCKPJCCIETA-UHFFFAOYSA-N
XLogP3.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylhexyl)-2-thiophenecarboxamide
CID 2915198
tert-butyl N-{2-[(2-thienylcarbonyl)amino]ethyl}carbamate
CID 2796306
N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 1245731
N-(1,1-dioxidotetrahydrothiophen-3-yl)thiophene-2-carboxamide
CID 2891912
N,N-diethyl-5-thiophen-2-yl-2-thiophenecarboxamide
CID 2740027
N-(1-Methyl-2-(1-piperidinyl)ethyl)-2-thiophenecarboxamide
CID 2971109
5-methyl-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide
CID 3573521
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 40233426
N-{4-[(2-thienylcarbonyl)amino]butyl}-2-thiophenecarboxamide
CID 1752547
5-methyl-N-(thiophen-2-ylmethyl)thiophene-3-carboxamide
CID 1247750
N-(3-methoxypropyl)thiophene-2-carboxamide
CID 2057652
N-[2-(thiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 710249

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide?
The IUPAC name of N-[2,2-dimethyl-3-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide (CID 2171062) is N-[2,2-dimethyl-3-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2,2-dimethyl-3-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2,2-dimethyl-3-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide is CC(C)(CNC(=O)c1cccs1)CNC(=O)c1cccs1.
What is the InChIKey of N-[2,2-dimethyl-3-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide?
The InChIKey is RZWYCKPJCCIETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-15(2,9-16-13(18)11-5-3-7-20-11)10-17-14(19)12-6-4-8-21-12/h3-8H,9-10H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-[2,2-dimethyl-3-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide?
N-[2,2-dimethyl-3-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-3-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide is sourced from PubChem (CID 2171062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).