N-[[4-[[2-(dimethylamino)-3-phenylpropyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide

C24H27N3O2S — CID 55787133

IUPACN-[[4-[[2-(dimethylamino)-3-phenylpropyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESCN(C)C(CNC(=O)c1ccc(CNC(=O)c2cccs2)cc1)Cc1ccccc1
InChIInChI=1S/C24H27N3O2S/c1-27(2)21(15-18-7-4-3-5-8-18)17-26-23(28)20-12-10-19(11-13-20)16-25-24(29)22-9-6-14-30-22/h3-14,21H,15-17H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyJUURGXPADUATKX-UHFFFAOYSA-N
MW421.57 g/mol
LogP3.58
Rot. Bonds9

About N-[[4-[[2-(dimethylamino)-3-phenylpropyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide

N-[[4-[[2-(dimethylamino)-3-phenylpropyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide (PubChem CID 55787133) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is N-[[4-[[2-(dimethylamino)-3-phenylpropyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[[2-(dimethylamino)-3-phenylpropyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
PubChem CID55787133
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC NameN-[[4-[[2-(dimethylamino)-3-phenylpropyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESCN(C)C(CNC(=O)c1ccc(CNC(=O)c2cccs2)cc1)Cc1ccccc1
InChIInChI=1S/C24H27N3O2S/c1-27(2)21(15-18-7-4-3-5-8-18)17-26-23(28)20-12-10-19(11-13-20)16-25-24(29)22-9-6-14-30-22/h3-14,21H,15-17H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyJUURGXPADUATKX-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzylthiophene-2-carboxamide
CID 574227
N-[2-(dimethylamino)-3-phenylpropyl]-4-(methylsulfonylmethyl)benzamide
CID 51150482
N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2979144
1-[2-(dimethylamino)-3-phenylpropyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 78832463
N-[[4-(thiophen-3-ylmethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 55766242
N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]thiophene-2-carboxamide
CID 41453878
N-[[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55753115
N-[2-(dimethylamino)-3-phenylpropyl]-3-iodobenzamide
CID 42907096
(2S)-4-methyl-2-[[4-[(thiophene-2-carbonylamino)methyl]benzoyl]amino]pentanoic acid
CID 119361616
N-[[4-[2-[(2-chlorobenzoyl)amino]ethylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55842432
N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-5-nitrosothiophene-2-carboxamide
CID 145230164
4-[(carbamoylamino)methyl]-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 51981001

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[2-(dimethylamino)-3-phenylpropyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[4-[[2-(dimethylamino)-3-phenylpropyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide (CID 55787133) is N-[[4-[[2-(dimethylamino)-3-phenylpropyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[4-[[2-(dimethylamino)-3-phenylpropyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[4-[[2-(dimethylamino)-3-phenylpropyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide is CN(C)C(CNC(=O)c1ccc(CNC(=O)c2cccs2)cc1)Cc1ccccc1.
What is the InChIKey of N-[[4-[[2-(dimethylamino)-3-phenylpropyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is JUURGXPADUATKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S/c1-27(2)21(15-18-7-4-3-5-8-18)17-26-23(28)20-12-10-19(11-13-20)16-25-24(29)22-9-6-14-30-22/h3-14,21H,15-17H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of N-[[4-[[2-(dimethylamino)-3-phenylpropyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
N-[[4-[[2-(dimethylamino)-3-phenylpropyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 421.57 g/mol, XLogP of 3.58, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[2-(dimethylamino)-3-phenylpropyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 55787133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).