N-[2-[[2-(diethylamino)-2-phenylethyl]carbamoyl]phenyl]thiophene-3-carboxamide

C24H27N3O2S — CID 55522622

IUPACN-[2-[[2-(diethylamino)-2-phenylethyl]carbamoyl]phenyl]thiophene-3-carboxamide
SMILESCCN(CC)C(CNC(=O)c1ccccc1NC(=O)c1ccsc1)c1ccccc1
InChIInChI=1S/C24H27N3O2S/c1-3-27(4-2)22(18-10-6-5-7-11-18)16-25-24(29)20-12-8-9-13-21(20)26-23(28)19-14-15-30-17-19/h5-15,17,22H,3-4,16H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyGEPJRYOIYGDMLY-UHFFFAOYSA-N
MW421.57 g/mol
LogP4.81
Rot. Bonds9

About N-[2-[[2-(diethylamino)-2-phenylethyl]carbamoyl]phenyl]thiophene-3-carboxamide

N-[2-[[2-(diethylamino)-2-phenylethyl]carbamoyl]phenyl]thiophene-3-carboxamide (PubChem CID 55522622) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is N-[2-[[2-(diethylamino)-2-phenylethyl]carbamoyl]phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(diethylamino)-2-phenylethyl]carbamoyl]phenyl]thiophene-3-carboxamide
PubChem CID55522622
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC NameN-[2-[[2-(diethylamino)-2-phenylethyl]carbamoyl]phenyl]thiophene-3-carboxamide
SMILESCCN(CC)C(CNC(=O)c1ccccc1NC(=O)c1ccsc1)c1ccccc1
InChIInChI=1S/C24H27N3O2S/c1-3-27(4-2)22(18-10-6-5-7-11-18)16-25-24(29)20-12-8-9-13-21(20)26-23(28)19-14-15-30-17-19/h5-15,17,22H,3-4,16H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyGEPJRYOIYGDMLY-UHFFFAOYSA-N
XLogP4.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2-phenyl-2-pyrrolidin-1-ylethyl)carbamoyl]phenyl]thiophene-3-carboxamide
CID 55522448
N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 25482491
N-[2-(diethylamino)-2-phenylethyl]-2-methylsulfanylbenzamide
CID 18167069
N-[2-[[4-(phenylmethoxymethyl)phenyl]methylcarbamoyl]phenyl]thiophene-3-carboxamide
CID 60553572
N-[2-(diethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 46548406
N-[2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenyl]thiophene-3-carboxamide
CID 55455739
2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylacetamide;dihydrochloride
CID 119849729
3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]naphthalene-2-carboxamide
CID 55660430
2-benzamido-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 55337352
N-[2-(diethylamino)-2-phenylethyl]pyridine-2-carboxamide
CID 42917068
2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid
CID 43444924
N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]phenyl]thiophene-3-carboxamide;hydrochloride
CID 119654505

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(diethylamino)-2-phenylethyl]carbamoyl]phenyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-[[2-(diethylamino)-2-phenylethyl]carbamoyl]phenyl]thiophene-3-carboxamide (CID 55522622) is N-[2-[[2-(diethylamino)-2-phenylethyl]carbamoyl]phenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-[[2-(diethylamino)-2-phenylethyl]carbamoyl]phenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-[[2-(diethylamino)-2-phenylethyl]carbamoyl]phenyl]thiophene-3-carboxamide is CCN(CC)C(CNC(=O)c1ccccc1NC(=O)c1ccsc1)c1ccccc1.
What is the InChIKey of N-[2-[[2-(diethylamino)-2-phenylethyl]carbamoyl]phenyl]thiophene-3-carboxamide?
The InChIKey is GEPJRYOIYGDMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S/c1-3-27(4-2)22(18-10-6-5-7-11-18)16-25-24(29)20-12-8-9-13-21(20)26-23(28)19-14-15-30-17-19/h5-15,17,22H,3-4,16H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of N-[2-[[2-(diethylamino)-2-phenylethyl]carbamoyl]phenyl]thiophene-3-carboxamide?
N-[2-[[2-(diethylamino)-2-phenylethyl]carbamoyl]phenyl]thiophene-3-carboxamide has a molecular weight of 421.57 g/mol, XLogP of 4.81, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(diethylamino)-2-phenylethyl]carbamoyl]phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 55522622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).