N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide

C20H26N4O2S — CID 47041698

IUPACN-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide
SMILESCc1ccc(NC(=O)C2CC2)cc1NC(=O)NCC(c1ccsc1)N(C)C
InChIInChI=1S/C20H26N4O2S/c1-13-4-7-16(22-19(25)14-5-6-14)10-17(13)23-20(26)21-11-18(24(2)3)15-8-9-27-12-15/h4,7-10,12,14,18H,5-6,11H2,1-3H3,(H,22,25)(H2,21,23,26)
InChIKeyBQKBZOFTRNCPBU-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.83
Rot. Bonds7

About N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide

N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide (PubChem CID 47041698) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide
PubChem CID47041698
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC NameN-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide
SMILESCc1ccc(NC(=O)C2CC2)cc1NC(=O)NCC(c1ccsc1)N(C)C
InChIInChI=1S/C20H26N4O2S/c1-13-4-7-16(22-19(25)14-5-6-14)10-17(13)23-20(26)21-11-18(24(2)3)15-8-9-27-12-15/h4,7-10,12,14,18H,5-6,11H2,1-3H3,(H,22,25)(H2,21,23,26)
InChIKeyBQKBZOFTRNCPBU-UHFFFAOYSA-N
XLogP3.83
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide (CID 47041698) is N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide is Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NCC(c1ccsc1)N(C)C.
What is the InChIKey of N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide?
The InChIKey is BQKBZOFTRNCPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-13-4-7-16(22-19(25)14-5-6-14)10-17(13)23-20(26)21-11-18(24(2)3)15-8-9-27-12-15/h4,7-10,12,14,18H,5-6,11H2,1-3H3,(H,22,25)(H2,21,23,26).
What are the key properties of N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide?
N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide has a molecular weight of 386.52 g/mol, XLogP of 3.83, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 47041698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).