[2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3R)-pyrrolidin-3-yl]carbamate

C17H20N4O4S — CID 69153822

IUPAC[2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3R)-pyrrolidin-3-yl]carbamate
SMILESCOc1ccc(-c2cc(OC(=O)N[C@@H]3CCNC3)c(NC(N)=O)s2)cc1
InChIInChI=1S/C17H20N4O4S/c1-24-12-4-2-10(3-5-12)14-8-13(15(26-14)21-16(18)22)25-17(23)20-11-6-7-19-9-11/h2-5,8,11,19H,6-7,9H2,1H3,(H,20,23)(H3,18,21,22)/t11-/m1/s1
InChIKeySUWJCXXHVQESDX-LLVKDONJSA-N
MW376.44 g/mol
LogP2.36
Rot. Bonds5

About [2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3R)-pyrrolidin-3-yl]carbamate

[2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3R)-pyrrolidin-3-yl]carbamate (PubChem CID 69153822) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is [2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3R)-pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Name[2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3R)-pyrrolidin-3-yl]carbamate
PubChem CID69153822
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC Name[2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3R)-pyrrolidin-3-yl]carbamate
SMILESCOc1ccc(-c2cc(OC(=O)N[C@@H]3CCNC3)c(NC(N)=O)s2)cc1
InChIInChI=1S/C17H20N4O4S/c1-24-12-4-2-10(3-5-12)14-8-13(15(26-14)21-16(18)22)25-17(23)20-11-6-7-19-9-11/h2-5,8,11,19H,6-7,9H2,1H3,(H,20,23)(H3,18,21,22)/t11-/m1/s1
InChIKeySUWJCXXHVQESDX-LLVKDONJSA-N
XLogP2.36
TPSA114.71 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 52.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3R)-piperidin-3-yl]carbamate
CID 69153310
[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-[(3S)-1-methylpiperidin-3-yl]carbamate
CID 69153291
[2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-(1-ethylpiperidin-3-yl)carbamate
CID 69153019
[2-(carbamoylamino)-5-[4-[2-(diethylamino)ethoxy]phenyl]thiophen-3-yl] N-[(3S)-azepan-3-yl]carbamate
CID 69154046
3-methoxy-5-phenyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 119452328
2-(carbamoylamino)-5-(4-fluorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 11349000
[3-(1,4-diazepane-1-carbonyl)-5-(4-methoxyphenyl)thiophen-2-yl]urea
CID 11494523
3-(carbamoylamino)-5-(3,4-dimethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 67077396
2-(carbamoylamino)-5-(4-chlorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 11451776
2-(carbamoylamino)-5-(4-methoxyphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]thiophene-3-carboxamide
CID 174506569
2-(carbamoylamino)-5-[4-(cyanomethyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 67077917

Frequently Asked Questions

What is the IUPAC name of [2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3R)-pyrrolidin-3-yl]carbamate?
The IUPAC name of [2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3R)-pyrrolidin-3-yl]carbamate (CID 69153822) is [2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3R)-pyrrolidin-3-yl]carbamate.
What is the SMILES notation for [2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3R)-pyrrolidin-3-yl]carbamate?
The canonical SMILES for [2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3R)-pyrrolidin-3-yl]carbamate is COc1ccc(-c2cc(OC(=O)N[C@@H]3CCNC3)c(NC(N)=O)s2)cc1.
What is the InChIKey of [2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3R)-pyrrolidin-3-yl]carbamate?
The InChIKey is SUWJCXXHVQESDX-LLVKDONJSA-N. The full InChI is InChI=1S/C17H20N4O4S/c1-24-12-4-2-10(3-5-12)14-8-13(15(26-14)21-16(18)22)25-17(23)20-11-6-7-19-9-11/h2-5,8,11,19H,6-7,9H2,1H3,(H,20,23)(H3,18,21,22)/t11-/m1/s1.
What are the key properties of [2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3R)-pyrrolidin-3-yl]carbamate?
[2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3R)-pyrrolidin-3-yl]carbamate has a molecular weight of 376.44 g/mol, XLogP of 2.36, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3R)-pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 69153822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).