N-[2-[(2-phenyl-2-pyrrolidin-1-ylethyl)carbamoyl]phenyl]thiophene-3-carboxamide

C24H25N3O2S — CID 55522448

IUPACN-[2-[(2-phenyl-2-pyrrolidin-1-ylethyl)carbamoyl]phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCC(c1ccccc1)N1CCCC1)c1ccsc1
InChIInChI=1S/C24H25N3O2S/c28-23(19-12-15-30-17-19)26-21-11-5-4-10-20(21)24(29)25-16-22(27-13-6-7-14-27)18-8-2-1-3-9-18/h1-5,8-12,15,17,22H,6-7,13-14,16H2,(H,25,29)(H,26,28)
InChIKeyTVVNFIZVFOHGKB-UHFFFAOYSA-N
MW419.55 g/mol
LogP4.57
Rot. Bonds7

About N-[2-[(2-phenyl-2-pyrrolidin-1-ylethyl)carbamoyl]phenyl]thiophene-3-carboxamide

N-[2-[(2-phenyl-2-pyrrolidin-1-ylethyl)carbamoyl]phenyl]thiophene-3-carboxamide (PubChem CID 55522448) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[2-[(2-phenyl-2-pyrrolidin-1-ylethyl)carbamoyl]phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-phenyl-2-pyrrolidin-1-ylethyl)carbamoyl]phenyl]thiophene-3-carboxamide
PubChem CID55522448
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC NameN-[2-[(2-phenyl-2-pyrrolidin-1-ylethyl)carbamoyl]phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCC(c1ccccc1)N1CCCC1)c1ccsc1
InChIInChI=1S/C24H25N3O2S/c28-23(19-12-15-30-17-19)26-21-11-5-4-10-20(21)24(29)25-16-22(27-13-6-7-14-27)18-8-2-1-3-9-18/h1-5,8-12,15,17,22H,6-7,13-14,16H2,(H,25,29)(H,26,28)
InChIKeyTVVNFIZVFOHGKB-UHFFFAOYSA-N
XLogP4.57
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]benzamide
CID 16931885
N-[2-[[2-(diethylamino)-2-phenylethyl]carbamoyl]phenyl]thiophene-3-carboxamide
CID 55522622
[2-[[2-(azepan-1-yl)-2-thiophen-3-ylethyl]carbamoyl]phenyl] acetate
CID 16931836
N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]thiophene-2-carboxamide
CID 40847538
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2-chlorophenyl)oxamide
CID 16932602
N-[2-(azepan-1-yl)-2-phenylethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 118786582
2-ethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 45155494
2,6-difluoro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 51931088
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2-methylphenyl)oxamide
CID 16932603
4-(phenylcarbamoylamino)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 55436420
N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzamide
CID 30605183
N-[2-[[4-(phenylmethoxymethyl)phenyl]methylcarbamoyl]phenyl]thiophene-3-carboxamide
CID 60553572

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-phenyl-2-pyrrolidin-1-ylethyl)carbamoyl]phenyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-[(2-phenyl-2-pyrrolidin-1-ylethyl)carbamoyl]phenyl]thiophene-3-carboxamide (CID 55522448) is N-[2-[(2-phenyl-2-pyrrolidin-1-ylethyl)carbamoyl]phenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-[(2-phenyl-2-pyrrolidin-1-ylethyl)carbamoyl]phenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-[(2-phenyl-2-pyrrolidin-1-ylethyl)carbamoyl]phenyl]thiophene-3-carboxamide is O=C(Nc1ccccc1C(=O)NCC(c1ccccc1)N1CCCC1)c1ccsc1.
What is the InChIKey of N-[2-[(2-phenyl-2-pyrrolidin-1-ylethyl)carbamoyl]phenyl]thiophene-3-carboxamide?
The InChIKey is TVVNFIZVFOHGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c28-23(19-12-15-30-17-19)26-21-11-5-4-10-20(21)24(29)25-16-22(27-13-6-7-14-27)18-8-2-1-3-9-18/h1-5,8-12,15,17,22H,6-7,13-14,16H2,(H,25,29)(H,26,28).
What are the key properties of N-[2-[(2-phenyl-2-pyrrolidin-1-ylethyl)carbamoyl]phenyl]thiophene-3-carboxamide?
N-[2-[(2-phenyl-2-pyrrolidin-1-ylethyl)carbamoyl]phenyl]thiophene-3-carboxamide has a molecular weight of 419.55 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-phenyl-2-pyrrolidin-1-ylethyl)carbamoyl]phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 55522448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).