[2-(carbamoylamino)-5-[4-[2-(diethylamino)ethoxy]phenyl]thiophen-3-yl] N-[(3S)-azepan-3-yl]carbamate

C24H35N5O4S — CID 69154046

IUPAC[2-(carbamoylamino)-5-[4-[2-(diethylamino)ethoxy]phenyl]thiophen-3-yl] N-[(3S)-azepan-3-yl]carbamate
SMILESCCN(CC)CCOc1ccc(-c2cc(OC(=O)N[C@H]3CCCCNC3)c(NC(N)=O)s2)cc1
InChIInChI=1S/C24H35N5O4S/c1-3-29(4-2)13-14-32-19-10-8-17(9-11-19)21-15-20(22(34-21)28-23(25)30)33-24(31)27-18-7-5-6-12-26-16-18/h8-11,15,18,26H,3-7,12-14,16H2,1-2H3,(H,27,31)(H3,25,28,30)/t18-/m0/s1
InChIKeyQFKBUXCBHUACAA-SFHVURJKSA-N
MW489.64 g/mol
LogP3.86
Rot. Bonds10

About [2-(carbamoylamino)-5-[4-[2-(diethylamino)ethoxy]phenyl]thiophen-3-yl] N-[(3S)-azepan-3-yl]carbamate

[2-(carbamoylamino)-5-[4-[2-(diethylamino)ethoxy]phenyl]thiophen-3-yl] N-[(3S)-azepan-3-yl]carbamate (PubChem CID 69154046) has the molecular formula C24H35N5O4S and a molecular weight of 489.64 g/mol. Its IUPAC name is [2-(carbamoylamino)-5-[4-[2-(diethylamino)ethoxy]phenyl]thiophen-3-yl] N-[(3S)-azepan-3-yl]carbamate.

Molecular Properties

Compound Name[2-(carbamoylamino)-5-[4-[2-(diethylamino)ethoxy]phenyl]thiophen-3-yl] N-[(3S)-azepan-3-yl]carbamate
PubChem CID69154046
Molecular FormulaC24H35N5O4S
Molecular Weight489.64 g/mol
Exact Mass489.24
IUPAC Name[2-(carbamoylamino)-5-[4-[2-(diethylamino)ethoxy]phenyl]thiophen-3-yl] N-[(3S)-azepan-3-yl]carbamate
SMILESCCN(CC)CCOc1ccc(-c2cc(OC(=O)N[C@H]3CCCCNC3)c(NC(N)=O)s2)cc1
InChIInChI=1S/C24H35N5O4S/c1-3-29(4-2)13-14-32-19-10-8-17(9-11-19)21-15-20(22(34-21)28-23(25)30)33-24(31)27-18-7-5-6-12-26-16-18/h8-11,15,18,26H,3-7,12-14,16H2,1-2H3,(H,27,31)(H3,25,28,30)/t18-/m0/s1
InChIKeyQFKBUXCBHUACAA-SFHVURJKSA-N
XLogP3.86
TPSA117.95 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.64
LogP ≤ 53.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze [2-(carbamoylamino)-5-[4-[2-(diethylamino)ethoxy]phenyl]thiophen-3-yl] N-[(3S)-azepan-3-yl]carbamate with MolForge

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

Launch Full Analysis

Related Compounds

[2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3R)-azepan-3-yl]carbamate
CID 69152628
[2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3R)-piperidin-3-yl]carbamate
CID 69153310
2-(carbamoylamino)-5-[4-[2-(diethylamino)ethoxy]phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide;2,2,2-trifluoroacetic acid
CID 68959548
[2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3R)-pyrrolidin-3-yl]carbamate
CID 69153822
[5-[3-[2-(diethylamino)ethoxy]phenyl]-2-(pyrazin-2-ylcarbamoylamino)thiophen-3-yl] N-piperidin-4-ylcarbamate
CID 69153128
[2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-(1-ethylpiperidin-3-yl)carbamate
CID 69153019
[2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3S)-1-methylpiperidin-3-yl]carbamate
CID 69153291
(3R)-3-[[2-(carbamoylamino)-5-[4-[2-(diethylamino)ethoxy]phenyl]thiophene-3-carbonyl]amino]piperidine-1-carboxylic acid;2,2,2-trifluoroacetic acid
CID 68959524
2-(carbamoylamino)-5-(4-fluorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 11349000
2-(carbamoylamino)-5-(4-chlorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 11451776
2-(carbamoylamino)-5-[4-(cyanomethyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 67077917
(3S)-3-[[5-[4-[2-(diethylamino)ethoxy]phenyl]-2-(propylcarbamoylamino)thiophene-3-carbonyl]amino]piperidine-1-carboxylic acid
CID 143003386

Frequently Asked Questions

What is the IUPAC name of [2-(carbamoylamino)-5-[4-[2-(diethylamino)ethoxy]phenyl]thiophen-3-yl] N-[(3S)-azepan-3-yl]carbamate?
The IUPAC name of [2-(carbamoylamino)-5-[4-[2-(diethylamino)ethoxy]phenyl]thiophen-3-yl] N-[(3S)-azepan-3-yl]carbamate (CID 69154046) is [2-(carbamoylamino)-5-[4-[2-(diethylamino)ethoxy]phenyl]thiophen-3-yl] N-[(3S)-azepan-3-yl]carbamate.
What is the SMILES notation for [2-(carbamoylamino)-5-[4-[2-(diethylamino)ethoxy]phenyl]thiophen-3-yl] N-[(3S)-azepan-3-yl]carbamate?
The canonical SMILES for [2-(carbamoylamino)-5-[4-[2-(diethylamino)ethoxy]phenyl]thiophen-3-yl] N-[(3S)-azepan-3-yl]carbamate is CCN(CC)CCOc1ccc(-c2cc(OC(=O)N[C@H]3CCCCNC3)c(NC(N)=O)s2)cc1.
What is the InChIKey of [2-(carbamoylamino)-5-[4-[2-(diethylamino)ethoxy]phenyl]thiophen-3-yl] N-[(3S)-azepan-3-yl]carbamate?
The InChIKey is QFKBUXCBHUACAA-SFHVURJKSA-N. The full InChI is InChI=1S/C24H35N5O4S/c1-3-29(4-2)13-14-32-19-10-8-17(9-11-19)21-15-20(22(34-21)28-23(25)30)33-24(31)27-18-7-5-6-12-26-16-18/h8-11,15,18,26H,3-7,12-14,16H2,1-2H3,(H,27,31)(H3,25,28,30)/t18-/m0/s1.
What are the key properties of [2-(carbamoylamino)-5-[4-[2-(diethylamino)ethoxy]phenyl]thiophen-3-yl] N-[(3S)-azepan-3-yl]carbamate?
[2-(carbamoylamino)-5-[4-[2-(diethylamino)ethoxy]phenyl]thiophen-3-yl] N-[(3S)-azepan-3-yl]carbamate has a molecular weight of 489.64 g/mol, XLogP of 3.86, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carbamoylamino)-5-[4-[2-(diethylamino)ethoxy]phenyl]thiophen-3-yl] N-[(3S)-azepan-3-yl]carbamate is sourced from PubChem (CID 69154046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).